N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

C8H13NO2 — CID 10130076

IUPACN-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESCC(=O)N[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C8H13NO2/c1-6(11)9-8-3-2-7(4-8)5-10/h2-3,7-8,10H,4-5H2,1H3,(H,9,11)/t7-,8+/m1/s1
InChIKeyJVSLVBYLHIRGJQ-SFYZADRCSA-N
MW155.20 g/mol
LogP0.06
Rot. Bonds2

About N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (PubChem CID 10130076) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
PubChem CID10130076
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESCC(=O)N[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C8H13NO2/c1-6(11)9-8-3-2-7(4-8)5-10/h2-3,7-8,10H,4-5H2,1H3,(H,9,11)/t7-,8+/m1/s1
InChIKeyJVSLVBYLHIRGJQ-SFYZADRCSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.06
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

Tert-butyl (1s,4r)-4-(hydroxymethyl)cyclopent-2-enylcarbamate
CID 18453470
4-Acetamidocyclopent-2-ene-1-carboxylic acid
CID 13845485
(1S,4R)-4-acetamidocyclopent-2-ene-1-carboxylic acid
CID 13845486
tert-butyl ((1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl)carbamate
CID 11052993
N-[(3S)-6-hydroxyhex-1-en-3-yl]acetamide
CID 101845977
N-[2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 130023837
3,3,3-trifluoro-2-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylpropanamide
CID 167923288
2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 169447373
2,2,2-trifluoro-N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 170457909
Gpbgpqxmdlodny-uhfffaoysa-
CID 21581235
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 9815255
(1R,4S)-rel-N-[4-[(Acetyloxy)methyl]-2-cyclopenten-1-yl]acetamide
CID 10313536

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (CID 10130076) is N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is CC(=O)N[C@H]1C=C[C@@H](CO)C1.
What is the InChIKey of N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The InChIKey is JVSLVBYLHIRGJQ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(11)9-8-3-2-7(4-8)5-10/h2-3,7-8,10H,4-5H2,1H3,(H,9,11)/t7-,8+/m1/s1.
What are the key properties of N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide has a molecular weight of 155.20 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 10130076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).