N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide

C12H21NO2 — CID 107202259

IUPACN-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide
SMILESCN(CCCCCO)C(=O)C1CC=CC1
InChIInChI=1S/C12H21NO2/c1-13(9-5-2-6-10-14)12(15)11-7-3-4-8-11/h3-4,11,14H,2,5-10H2,1H3
InChIKeyPXSHHHDWLDQJKF-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.57
Rot. Bonds6

About N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide

N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide (PubChem CID 107202259) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide
PubChem CID107202259
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide
SMILESCN(CCCCCO)C(=O)C1CC=CC1
InChIInChI=1S/C12H21NO2/c1-13(9-5-2-6-10-14)12(15)11-7-3-4-8-11/h3-4,11,14H,2,5-10H2,1H3
InChIKeyPXSHHHDWLDQJKF-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
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-hydroxypentyl)-N-methylcyclopent-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

(R)-1-((S)-2-(hydroxymethyl)pyrrolidin-1-yl)-2-methylpent-4-en-1-one
CID 12619540
(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one
CID 12619541
cyclopent-3-en-1-yl-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 126768201
1-[2-(Hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one
CID 12619538
(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-7-methyl-2-propan-2-yloct-4-en-1-one
CID 54121152
1-[2-(Hydroxymethyl)pyrrolidin-1-yl]-7-methyl-2-propan-2-yloct-4-en-1-one
CID 57062128
(E,2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-7-methyl-2-propan-2-yloct-4-en-1-one
CID 67903974
(2S)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-7-methyl-2-propan-2-yloct-4-en-1-one
CID 67903979
(Z,2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-7-methyl-2-propan-2-yloct-4-en-1-one
CID 67904261
(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpent-4-en-1-one
CID 118867110
3,6-diethyl-2-hydroxy-1,4-dimethyl-3,6-dihydro-2H-azepin-7-one
CID 143689645
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpent-4-en-1-one
CID 10703078

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide (CID 107202259) is N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide is CN(CCCCCO)C(=O)C1CC=CC1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide?
The InChIKey is PXSHHHDWLDQJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13(9-5-2-6-10-14)12(15)11-7-3-4-8-11/h3-4,11,14H,2,5-10H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide?
N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methylcyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 107202259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).