2-(2,4,4-trimethylcyclopentyl)acetonitrile

C10H17N — CID 67065089

IUPAC2-(2,4,4-trimethylcyclopentyl)acetonitrile
SMILESCC1CC(C)(C)CC1CC#N
InChIInChI=1S/C10H17N/c1-8-6-10(2,3)7-9(8)4-5-11/h8-9H,4,6-7H2,1-3H3
InChIKeyCGZTVBYESYRPON-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds1

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

2-(2,4,4-trimethylcyclopentyl)acetonitrile (PubChem CID 67065089) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(2,4,4-trimethylcyclopentyl)acetonitrile.

Molecular Properties

Compound Name2-(2,4,4-trimethylcyclopentyl)acetonitrile
PubChem CID67065089
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-(2,4,4-trimethylcyclopentyl)acetonitrile
SMILESCC1CC(C)(C)CC1CC#N
InChIInChI=1S/C10H17N/c1-8-6-10(2,3)7-9(8)4-5-11/h8-9H,4,6-7H2,1-3H3
InChIKeyCGZTVBYESYRPON-UHFFFAOYSA-N
XLogP2.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
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)acetonitrile?
The IUPAC name of 2-(2,4,4-trimethylcyclopentyl)acetonitrile (CID 67065089) is 2-(2,4,4-trimethylcyclopentyl)acetonitrile.
What is the SMILES notation for 2-(2,4,4-trimethylcyclopentyl)acetonitrile?
The canonical SMILES for 2-(2,4,4-trimethylcyclopentyl)acetonitrile is CC1CC(C)(C)CC1CC#N.
What is the InChIKey of 2-(2,4,4-trimethylcyclopentyl)acetonitrile?
The InChIKey is CGZTVBYESYRPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-6-10(2,3)7-9(8)4-5-11/h8-9H,4,6-7H2,1-3H3.
What are the key properties of 2-(2,4,4-trimethylcyclopentyl)acetonitrile?
2-(2,4,4-trimethylcyclopentyl)acetonitrile has a molecular weight of 151.25 g/mol, XLogP of 2.97, 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)acetonitrile is sourced from PubChem (CID 67065089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).