2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile

C10H16N2O — CID 65251724

IUPAC2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile
SMILESCC(C)(C#N)CCN1CCCC1=O
InChIInChI=1S/C10H16N2O/c1-10(2,8-11)5-7-12-6-3-4-9(12)13/h3-7H2,1-2H3
InChIKeyRYHYQXUVPFTSTC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.55
Rot. Bonds3

About 2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile

2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile (PubChem CID 65251724) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile
PubChem CID65251724
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile
SMILESCC(C)(C#N)CCN1CCCC1=O
InChIInChI=1S/C10H16N2O/c1-10(2,8-11)5-7-12-6-3-4-9(12)13/h3-7H2,1-2H3
InChIKeyRYHYQXUVPFTSTC-UHFFFAOYSA-N
XLogP1.55
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile?
The IUPAC name of 2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile (CID 65251724) is 2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile is CC(C)(C#N)CCN1CCCC1=O.
What is the InChIKey of 2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile?
The InChIKey is RYHYQXUVPFTSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,8-11)5-7-12-6-3-4-9(12)13/h3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile?
2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile has a molecular weight of 180.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile is sourced from PubChem (CID 65251724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).