3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile

C10H15N — CID 3519416

IUPAC3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC1CC2CC1C(C#N)C2C
InChIInChI=1S/C10H15N/c1-6-3-8-4-9(6)10(5-11)7(8)2/h6-10H,3-4H2,1-2H3
InChIKeyMKFSLBADTQAFOB-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.44
Rot. Bonds

About 3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile

3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 3519416) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID3519416
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile
SMILESCC1CC2CC1C(C#N)C2C
InChIInChI=1S/C10H15N/c1-6-3-8-4-9(6)10(5-11)7(8)2/h6-10H,3-4H2,1-2H3
InChIKeyMKFSLBADTQAFOB-UHFFFAOYSA-N
XLogP2.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 59217509
2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)
CID 160833489
8-methyl-5-oxo-4-oxatricyclo[5.2.1.02,6]decane-3-carbonitrile
CID 88990267
cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile
CID 58392287
(2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane
CID 162406126
2,3-dimethylcyclobutane-1-carbonitrile
CID 123673485
9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 58312204
(1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile
CID 167531480
(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638
(1S,2R,4S,7R)-2-hydroxybicyclo[2.2.1]heptane-7-carbonitrile
CID 131065411
(2S,3R,5S)-3,5-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;(2S,3S,5S)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 91447754
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of 3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile (CID 3519416) is 3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for 3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for 3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile is CC1CC2CC1C(C#N)C2C.
What is the InChIKey of 3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is MKFSLBADTQAFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-6-3-8-4-9(6)10(5-11)7(8)2/h6-10H,3-4H2,1-2H3.
What are the key properties of 3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile?
3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 149.24 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 3519416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).