N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide

C11H19NO2 — CID 115701623

IUPACN-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide
SMILESCC(C)C(O)CNC(=O)C1CC=CC1
InChIInChI=1S/C11H19NO2/c1-8(2)10(13)7-12-11(14)9-5-3-4-6-9/h3-4,8-10,13H,5-7H2,1-2H3,(H,12,14)
InChIKeyWAWVLQPRIZIARF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.09
Rot. Bonds4

About N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide

N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide (PubChem CID 115701623) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide
PubChem CID115701623
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide
SMILESCC(C)C(O)CNC(=O)C1CC=CC1
InChIInChI=1S/C11H19NO2/c1-8(2)10(13)7-12-11(14)9-5-3-4-6-9/h3-4,8-10,13H,5-7H2,1-2H3,(H,12,14)
InChIKeyWAWVLQPRIZIARF-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-3-methylbutyl)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

Related Compounds

4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
CID 115744551
N-(2-hydroxy-3-methylbutyl)-2-methylcyclopropane-1-carboxamide
CID 115701552
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450791
N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103838536
N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 109478559
(2-hydroxy-3-methylbutyl)carbamic acid
CID 135330394
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450793
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
6-(2-hydroxypropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 60662049
(1S,6R)-6-[[(2S)-2-hydroxypropyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 39203617
4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114512122
N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide (CID 115701623) is N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide is CC(C)C(O)CNC(=O)C1CC=CC1.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is WAWVLQPRIZIARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)10(13)7-12-11(14)9-5-3-4-6-9/h3-4,8-10,13H,5-7H2,1-2H3,(H,12,14).
What are the key properties of N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide?
N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 115701623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).