2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide

C11H15NO3 — CID 11572012

IUPAC2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(CC1C=CCC1)N[C@H]1CCOC1=O
InChIInChI=1S/C11H15NO3/c13-10(7-8-3-1-2-4-8)12-9-5-6-15-11(9)14/h1,3,8-9H,2,4-7H2,(H,12,13)/t8?,9-/m0/s1
InChIKeyCPYCQGIBKUZQGH-GKAPJAKFSA-N
MW209.24 g/mol
LogP0.77
Rot. Bonds3

About 2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 11572012) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID11572012
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(CC1C=CCC1)N[C@H]1CCOC1=O
InChIInChI=1S/C11H15NO3/c13-10(7-8-3-1-2-4-8)12-9-5-6-15-11(9)14/h1,3,8-9H,2,4-7H2,(H,12,13)/t8?,9-/m0/s1
InChIKeyCPYCQGIBKUZQGH-GKAPJAKFSA-N
XLogP0.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 11572012) is 2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(CC1C=CCC1)N[C@H]1CCOC1=O.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is CPYCQGIBKUZQGH-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H15NO3/c13-10(7-8-3-1-2-4-8)12-9-5-6-15-11(9)14/h1,3,8-9H,2,4-7H2,(H,12,13)/t8?,9-/m0/s1.
What are the key properties of 2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 209.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 11572012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).