2,2-dimethylcyclopentane-1-carbonitrile

C8H13N — CID 10057496

IUPAC2,2-dimethylcyclopentane-1-carbonitrile
SMILESCC1(C)CCCC1C#N
InChIInChI=1S/C8H13N/c1-8(2)5-3-4-7(8)6-9/h7H,3-5H2,1-2H3
InChIKeyYFQUNIXBJWWKJZ-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.34
Rot. Bonds

About 2,2-dimethylcyclopentane-1-carbonitrile

2,2-dimethylcyclopentane-1-carbonitrile (PubChem CID 10057496) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,2-dimethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2,2-dimethylcyclopentane-1-carbonitrile
PubChem CID10057496
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,2-dimethylcyclopentane-1-carbonitrile
SMILESCC1(C)CCCC1C#N
InChIInChI=1S/C8H13N/c1-8(2)5-3-4-7(8)6-9/h7H,3-5H2,1-2H3
InChIKeyYFQUNIXBJWWKJZ-UHFFFAOYSA-N
XLogP2.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclopentane-1-carbonitrile?
The IUPAC name of 2,2-dimethylcyclopentane-1-carbonitrile (CID 10057496) is 2,2-dimethylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2,2-dimethylcyclopentane-1-carbonitrile?
The canonical SMILES for 2,2-dimethylcyclopentane-1-carbonitrile is CC1(C)CCCC1C#N.
What is the InChIKey of 2,2-dimethylcyclopentane-1-carbonitrile?
The InChIKey is YFQUNIXBJWWKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-8(2)5-3-4-7(8)6-9/h7H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethylcyclopentane-1-carbonitrile?
2,2-dimethylcyclopentane-1-carbonitrile has a molecular weight of 123.20 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 2,2-dimethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 10057496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).