N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide

C13H22N2O2 — CID 75519340

IUPACN-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide
SMILESCCC(NC(=O)C1CC=CC1)(C(N)=O)C(C)C
InChIInChI=1S/C13H22N2O2/c1-4-13(9(2)3,12(14)17)15-11(16)10-7-5-6-8-10/h5-6,9-10H,4,7-8H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyYDYKZVCUQSGZLQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.36
Rot. Bonds5

About N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide

N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide (PubChem CID 75519340) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide
PubChem CID75519340
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide
SMILESCCC(NC(=O)C1CC=CC1)(C(N)=O)C(C)C
InChIInChI=1S/C13H22N2O2/c1-4-13(9(2)3,12(14)17)15-11(16)10-7-5-6-8-10/h5-6,9-10H,4,7-8H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeyYDYKZVCUQSGZLQ-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide 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 N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide (CID 75519340) is N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide is CCC(NC(=O)C1CC=CC1)(C(N)=O)C(C)C.
What is the InChIKey of N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide?
The InChIKey is YDYKZVCUQSGZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-13(9(2)3,12(14)17)15-11(16)10-7-5-6-8-10/h5-6,9-10H,4,7-8H2,1-3H3,(H2,14,17)(H,15,16).
What are the key properties of N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide?
N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-2-methylpentan-3-yl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 75519340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).