(1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile

C9H13N — CID 167531480

IUPAC(1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile
SMILESCC1CC2C[C@H]2[C@@H](C#N)C1
InChIInChI=1S/C9H13N/c1-6-2-7-4-9(7)8(3-6)5-10/h6-9H,2-4H2,1H3/t6?,7?,8-,9-/m1/s1
InChIKeyAAIDSJSGOSNOQH-GEPGNKONSA-N
MW135.21 g/mol
LogP2.19
Rot. Bonds

About (1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile

(1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile (PubChem CID 167531480) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile.

Molecular Properties

Compound Name(1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile
PubChem CID167531480
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile
SMILESCC1CC2C[C@H]2[C@@H](C#N)C1
InChIInChI=1S/C9H13N/c1-6-2-7-4-9(7)8(3-6)5-10/h6-9H,2-4H2,1H3/t6?,7?,8-,9-/m1/s1
InChIKeyAAIDSJSGOSNOQH-GEPGNKONSA-N
XLogP2.19
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2S)-4-methylbicyclo[4.1.0]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

cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile
CID 58392287
7,12,14-trimethyltetracyclo[8.5.0.02,8.04,6]pentadecane
CID 123453838
(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane
CID 144517019
2,3-dimethylcyclobutane-1-carbonitrile
CID 123673485
(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 93286230
methane;3-methylbicyclo[3.1.0]hexane
CID 143309580
ethane;3-methylbicyclo[3.1.0]hexane
CID 143195876
(4R)-2-bromo-4-methylcyclohexane-1-carbonitrile
CID 130748404
2-methyl-1,2,3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-hexadecahydrocyclopenta[b]fluorene
CID 123788030
3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile
CID 3519416
3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile
CID 143087396
2-methylcyclobutane-1-carbonitrile
CID 105426925

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile?
The IUPAC name of (1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile (CID 167531480) is (1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile.
What is the SMILES notation for (1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile?
The canonical SMILES for (1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile is CC1CC2C[C@H]2[C@@H](C#N)C1.
What is the InChIKey of (1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile?
The InChIKey is AAIDSJSGOSNOQH-GEPGNKONSA-N. The full InChI is InChI=1S/C9H13N/c1-6-2-7-4-9(7)8(3-6)5-10/h6-9H,2-4H2,1H3/t6?,7?,8-,9-/m1/s1.
What are the key properties of (1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile?
(1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile has a molecular weight of 135.21 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile is sourced from PubChem (CID 167531480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).