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Norbornane

Athanor · official

C7H12 · 96.17 g/mol

IUPAC name: bicyclo[2.2.1]heptane

Also called bicyclo[2.2.1]heptane, norcamphane

RingsBicyclics
Open in Athanor
The structure of Norbornane
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
bicyclo[2.2.1]heptane
Synonyms
bicyclo[2.2.1]heptane, norcamphane, Bicyclo[2.2.1]heptane
+ 37 more

Norbornylane, Norcamphane, Norfenchane, Norsantane, Bicyclo(2.2.1)heptane, PAF9G8MY72, NSC-91457, DTXSID4075376, Bicyclo2.2.1heptane, RefChem:568133, DTXCID9037745, 205-996-2, 1,4-Endomethylenecyclohexane, MFCD00074822, Cyclohexane, 1,4-endo-methylene-, (1s,4s)-bicyclo[2.2.1]heptane, Norbornane, 98%, AI3-51350, 1,4-endo-methylenecyclohexane, CHEBI:71546, AKOS016845937, SY052468, D91724, Q418111, EINECS 205-996-2, NSC 91457, BRN 1900379, UNII-PAF9G8MY72, SCHEMBL7954, SCHEMBL8189, SCHEMBL36205, SCHEMBL65694, SCHEMBL80248, 4-05-00-00258 (Beilstein Handbook Reference), Cyclohexane,4-endo-methylene-, SCHEMBL146718, SCHEMBL146719

Molecular formula
C7H12
Empirical formula
C7H12
Molecular weight
96.17 g/mol
Exact mass
96.09390
CAS number
279-23-2
PubChem CID
9233
Canonical SMILES
C1CC2CCC1C2
Isomeric SMILES
C1CC2CCC1C2
InChI
InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2
InChIKey
UMRZSTCPUPJPOJ-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
7
Rings
2
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
1
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
TPSA (Ų)
0
Formal charge
0
XLogP3
3 PubChem
Complexity
58 PubChem
Stereocenters
0 defined, 2 undefinedCIP: C3: undefined · C6: undefined
Double-bond geometry
None specified
Point group
C2v of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C87.42%
  • H12.58%

Isotope pattern

100%96.0947.7%97.09798.101

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
2.2 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-1.82 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.99 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 96.17
  • log P ≤ 5 (Crippen): 2.2
  • H-bond donors ≤ 5: 0
  • H-bond acceptors ≤ 10: 0

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Safety data sheets on the supplier’s page: Smolecule, Ambinter, Alfa Chemistry.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  2. [2]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  4. [4]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  6. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  7. ·Literature on PubChem

Data last updated 2026-10-14.