N-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide

C12H21NO2 — CID 167743406

IUPACN-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide
SMILESCC(=O)NC(C(C)C)C1(CO)CC=CC1
InChIInChI=1S/C12H21NO2/c1-9(2)11(13-10(3)15)12(8-14)6-4-5-7-12/h4-5,9,11,14H,6-8H2,1-3H3,(H,13,15)
InChIKeyLWAPSXBBYKDZFQ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.48
Rot. Bonds4

About N-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide

N-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide (PubChem CID 167743406) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide
PubChem CID167743406
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide
SMILESCC(=O)NC(C(C)C)C1(CO)CC=CC1
InChIInChI=1S/C12H21NO2/c1-9(2)11(13-10(3)15)12(8-14)6-4-5-7-12/h4-5,9,11,14H,6-8H2,1-3H3,(H,13,15)
InChIKeyLWAPSXBBYKDZFQ-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol;hydrochloride
CID 122154863
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide
CID 126827767
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
2-acetamido-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 115362386
3-acetamido-4-methylpentanoic acid
CID 22460001
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978
N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 90242919
2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 79252016
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 101151664
N-(4-methylpent-1-yn-3-yl)acetamide
CID 123211812
N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide
CID 69010101

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide?
The IUPAC name of N-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide (CID 167743406) is N-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide.
What is the SMILES notation for N-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide?
The canonical SMILES for N-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide is CC(=O)NC(C(C)C)C1(CO)CC=CC1.
What is the InChIKey of N-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide?
The InChIKey is LWAPSXBBYKDZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)11(13-10(3)15)12(8-14)6-4-5-7-12/h4-5,9,11,14H,6-8H2,1-3H3,(H,13,15).
What are the key properties of N-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide?
N-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide has a molecular weight of 211.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-methylpropyl]acetamide is sourced from PubChem (CID 167743406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).