2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide

C12H19NO3 — CID 97243038

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NC[C@@]1(O)CCOC1
InChIInChI=1S/C12H19NO3/c14-11(7-10-3-1-2-4-10)13-8-12(15)5-6-16-9-12/h1,3,10,15H,2,4-9H2,(H,13,14)/t10-,12+/m1/s1
InChIKeyYWPWEPDTHMAFIJ-PWSUYJOCSA-N
MW225.29 g/mol
LogP0.61
Rot. Bonds4

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide (PubChem CID 97243038) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide
PubChem CID97243038
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NC[C@@]1(O)CCOC1
InChIInChI=1S/C12H19NO3/c14-11(7-10-3-1-2-4-10)13-8-12(15)5-6-16-9-12/h1,3,10,15H,2,4-9H2,(H,13,14)/t10-,12+/m1/s1
InChIKeyYWPWEPDTHMAFIJ-PWSUYJOCSA-N
XLogP0.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-2-en-1-yl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65121375
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719
3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101542
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
5-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
CID 106103197
2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 111825728
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103848897
N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide
CID 103849502
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide (CID 97243038) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide is O=C(C[C@@H]1C=CCC1)NC[C@@]1(O)CCOC1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The InChIKey is YWPWEPDTHMAFIJ-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(7-10-3-1-2-4-10)13-8-12(15)5-6-16-9-12/h1,3,10,15H,2,4-9H2,(H,13,14)/t10-,12+/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide has a molecular weight of 225.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 97243038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).