3-methylbicyclo[3.2.0]heptane-3-carbonitrile

C9H13N — CID 21024487

IUPAC3-methylbicyclo[3.2.0]heptane-3-carbonitrile
SMILESCC1(C#N)CC2CCC2C1
InChIInChI=1S/C9H13N/c1-9(6-10)4-7-2-3-8(7)5-9/h7-8H,2-5H2,1H3
InChIKeyOCDUCTNXRAESOE-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.34
Rot. Bonds

About 3-methylbicyclo[3.2.0]heptane-3-carbonitrile

3-methylbicyclo[3.2.0]heptane-3-carbonitrile (PubChem CID 21024487) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-methylbicyclo[3.2.0]heptane-3-carbonitrile.

Molecular Properties

Compound Name3-methylbicyclo[3.2.0]heptane-3-carbonitrile
PubChem CID21024487
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-methylbicyclo[3.2.0]heptane-3-carbonitrile
SMILESCC1(C#N)CC2CCC2C1
InChIInChI=1S/C9H13N/c1-9(6-10)4-7-2-3-8(7)5-9/h7-8H,2-5H2,1H3
InChIKeyOCDUCTNXRAESOE-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile
CID 134855916
4-Ethyl-6-(2,2,3-trimethyl-cyclopentyl)-hexanenitrile
CID 25003474
4-Methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile
CID 25003832
2-[(1R)-2,2,3,3-tetramethylcyclopentyl]acetonitrile
CID 58477004
2-[(1S)-2,2,3,3-tetramethylcyclopentyl]acetonitrile
CID 58477023
(1S,5R)-3-ethylbicyclo[3.2.0]heptane-3-carbonitrile
CID 58619278
(1S,5R)-3-(cyanomethyl)-1,5-dimethylbicyclo[3.2.0]heptane-3-carbonitrile
CID 59060977
(1S,5R)-3-(cyanomethyl)bicyclo[3.2.0]heptane-3-carbonitrile
CID 59094050
(1R,5S)-bicyclo[3.2.0]heptane-3-carbonitrile
CID 59094053
2-(2,4,4-Trimethylcyclopentyl)-acetonitrile
CID 67065089
2-(2,4,4-Trimethylcyclopentyl)-propanenitrile
CID 67065300
2-[(1S,5R)-3-bicyclo[3.2.0]heptanyl]acetonitrile
CID 67558959

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[3.2.0]heptane-3-carbonitrile?
The IUPAC name of 3-methylbicyclo[3.2.0]heptane-3-carbonitrile (CID 21024487) is 3-methylbicyclo[3.2.0]heptane-3-carbonitrile.
What is the SMILES notation for 3-methylbicyclo[3.2.0]heptane-3-carbonitrile?
The canonical SMILES for 3-methylbicyclo[3.2.0]heptane-3-carbonitrile is CC1(C#N)CC2CCC2C1.
What is the InChIKey of 3-methylbicyclo[3.2.0]heptane-3-carbonitrile?
The InChIKey is OCDUCTNXRAESOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-9(6-10)4-7-2-3-8(7)5-9/h7-8H,2-5H2,1H3.
What are the key properties of 3-methylbicyclo[3.2.0]heptane-3-carbonitrile?
3-methylbicyclo[3.2.0]heptane-3-carbonitrile has a molecular weight of 135.21 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[3.2.0]heptane-3-carbonitrile is sourced from PubChem (CID 21024487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).