3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile

C10H15NO — CID 11819380

IUPAC3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile
SMILESCC1(C)CC(=O)C(CCC#N)C1
InChIInChI=1S/C10H15NO/c1-10(2)6-8(4-3-5-11)9(12)7-10/h8H,3-4,6-7H2,1-2H3
InChIKeyMHJKXYUDDSPLRD-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.30
Rot. Bonds2

About 3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile

3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile (PubChem CID 11819380) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile.

Molecular Properties

Compound Name3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile
PubChem CID11819380
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile
SMILESCC1(C)CC(=O)C(CCC#N)C1
InChIInChI=1S/C10H15NO/c1-10(2)6-8(4-3-5-11)9(12)7-10/h8H,3-4,6-7H2,1-2H3
InChIKeyMHJKXYUDDSPLRD-UHFFFAOYSA-N
XLogP2.30
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile 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 3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile?
The IUPAC name of 3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile (CID 11819380) is 3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile.
What is the SMILES notation for 3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile?
The canonical SMILES for 3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile is CC1(C)CC(=O)C(CCC#N)C1.
What is the InChIKey of 3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile?
The InChIKey is MHJKXYUDDSPLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2)6-8(4-3-5-11)9(12)7-10/h8H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile?
3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile has a molecular weight of 165.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2-oxocyclopentyl)propanenitrile is sourced from PubChem (CID 11819380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).