N-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide

C12H21NO2 — CID 103861669

IUPACN-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide
SMILESCC(CO)CCCNC(=O)C1CC=CC1
InChIInChI=1S/C12H21NO2/c1-10(9-14)5-4-8-13-12(15)11-6-2-3-7-11/h2-3,10-11,14H,4-9H2,1H3,(H,13,15)
InChIKeyBHBINHHPLFVSGM-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.48
Rot. Bonds6

About N-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide

N-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide (PubChem CID 103861669) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide
PubChem CID103861669
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide
SMILESCC(CO)CCCNC(=O)C1CC=CC1
InChIInChI=1S/C12H21NO2/c1-10(9-14)5-4-8-13-12(15)11-6-2-3-7-11/h2-3,10-11,14H,4-9H2,1H3,(H,13,15)
InChIKeyBHBINHHPLFVSGM-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-hydroxy-4-methylpentyl)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-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide (CID 103861669) is N-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide is CC(CO)CCCNC(=O)C1CC=CC1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is BHBINHHPLFVSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(9-14)5-4-8-13-12(15)11-6-2-3-7-11/h2-3,10-11,14H,4-9H2,1H3,(H,13,15).
What are the key properties of N-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide?
N-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 103861669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).