5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile

C13H19N3O — CID 80580964

IUPAC5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C13H19N3O/c1-13(2,10-14)6-3-7-15-8-9-16(12(15)17)11-4-5-11/h8-9,11H,3-7H2,1-2H3
InChIKeyFLKRUGCQJNQFQC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.31
Rot. Bonds5

About 5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile

5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile (PubChem CID 80580964) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile
PubChem CID80580964
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C13H19N3O/c1-13(2,10-14)6-3-7-15-8-9-16(12(15)17)11-4-5-11/h8-9,11H,3-7H2,1-2H3
InChIKeyFLKRUGCQJNQFQC-UHFFFAOYSA-N
XLogP2.31
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile 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 5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile (CID 80580964) is 5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCn1ccn(C2CC2)c1=O.
What is the InChIKey of 5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile?
The InChIKey is FLKRUGCQJNQFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,10-14)6-3-7-15-8-9-16(12(15)17)11-4-5-11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile?
5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile has a molecular weight of 233.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-2-oxoimidazol-1-yl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 80580964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).