2-methylcyclopentane-1-carbonitrile

C7H11N — CID 14976610

IUPAC2-methylcyclopentane-1-carbonitrile
SMILESCC1CCCC1C#N
InChIInChI=1S/C7H11N/c1-6-3-2-4-7(6)5-8/h6-7H,2-4H2,1H3
InChIKeyZJIHBZDKEFKVBZ-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.95
Rot. Bonds

About 2-methylcyclopentane-1-carbonitrile

2-methylcyclopentane-1-carbonitrile (PubChem CID 14976610) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-methylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-methylcyclopentane-1-carbonitrile
PubChem CID14976610
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-methylcyclopentane-1-carbonitrile
SMILESCC1CCCC1C#N
InChIInChI=1S/C7H11N/c1-6-3-2-4-7(6)5-8/h6-7H,2-4H2,1H3
InChIKeyZJIHBZDKEFKVBZ-UHFFFAOYSA-N
XLogP1.95
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylcyclopentane-1-carbonitrile?
The IUPAC name of 2-methylcyclopentane-1-carbonitrile (CID 14976610) is 2-methylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-methylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-methylcyclopentane-1-carbonitrile is CC1CCCC1C#N.
What is the InChIKey of 2-methylcyclopentane-1-carbonitrile?
The InChIKey is ZJIHBZDKEFKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-3-2-4-7(6)5-8/h6-7H,2-4H2,1H3.
What are the key properties of 2-methylcyclopentane-1-carbonitrile?
2-methylcyclopentane-1-carbonitrile has a molecular weight of 109.17 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 14976610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).