2-(2,4,4-trimethylcyclopentyl)propanenitrile

C11H19N — CID 67065300

IUPAC2-(2,4,4-trimethylcyclopentyl)propanenitrile
SMILESCC(C#N)C1CC(C)(C)CC1C
InChIInChI=1S/C11H19N/c1-8-5-11(3,4)6-10(8)9(2)7-12/h8-10H,5-6H2,1-4H3
InChIKeyVPNUNBAFCAOPQM-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.22
Rot. Bonds1

About 2-(2,4,4-trimethylcyclopentyl)propanenitrile

2-(2,4,4-trimethylcyclopentyl)propanenitrile (PubChem CID 67065300) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-(2,4,4-trimethylcyclopentyl)propanenitrile.

Molecular Properties

Compound Name2-(2,4,4-trimethylcyclopentyl)propanenitrile
PubChem CID67065300
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-(2,4,4-trimethylcyclopentyl)propanenitrile
SMILESCC(C#N)C1CC(C)(C)CC1C
InChIInChI=1S/C11H19N/c1-8-5-11(3,4)6-10(8)9(2)7-12/h8-10H,5-6H2,1-4H3
InChIKeyVPNUNBAFCAOPQM-UHFFFAOYSA-N
XLogP3.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,4-trimethylcyclopentyl)propanenitrile?
The IUPAC name of 2-(2,4,4-trimethylcyclopentyl)propanenitrile (CID 67065300) is 2-(2,4,4-trimethylcyclopentyl)propanenitrile.
What is the SMILES notation for 2-(2,4,4-trimethylcyclopentyl)propanenitrile?
The canonical SMILES for 2-(2,4,4-trimethylcyclopentyl)propanenitrile is CC(C#N)C1CC(C)(C)CC1C.
What is the InChIKey of 2-(2,4,4-trimethylcyclopentyl)propanenitrile?
The InChIKey is VPNUNBAFCAOPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8-5-11(3,4)6-10(8)9(2)7-12/h8-10H,5-6H2,1-4H3.
What are the key properties of 2-(2,4,4-trimethylcyclopentyl)propanenitrile?
2-(2,4,4-trimethylcyclopentyl)propanenitrile has a molecular weight of 165.28 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,4-trimethylcyclopentyl)propanenitrile is sourced from PubChem (CID 67065300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).