(4-acetamidocyclopent-2-en-1-yl)methyl acetate

C10H15NO3 — CID 10313536

IUPAC(4-acetamidocyclopent-2-en-1-yl)methyl acetate
SMILESCC(=O)NC1C=CC(COC(C)=O)C1
InChIInChI=1S/C10H15NO3/c1-7(12)11-10-4-3-9(5-10)6-14-8(2)13/h3-4,9-10H,5-6H2,1-2H3,(H,11,12)
InChIKeyNUVGPCPCBFRPHQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.63
Rot. Bonds3

About (4-acetamidocyclopent-2-en-1-yl)methyl acetate

(4-acetamidocyclopent-2-en-1-yl)methyl acetate (PubChem CID 10313536) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (4-acetamidocyclopent-2-en-1-yl)methyl acetate.

Molecular Properties

Compound Name(4-acetamidocyclopent-2-en-1-yl)methyl acetate
PubChem CID10313536
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(4-acetamidocyclopent-2-en-1-yl)methyl acetate
SMILESCC(=O)NC1C=CC(COC(C)=O)C1
InChIInChI=1S/C10H15NO3/c1-7(12)11-10-4-3-9(5-10)6-14-8(2)13/h3-4,9-10H,5-6H2,1-2H3,(H,11,12)
InChIKeyNUVGPCPCBFRPHQ-UHFFFAOYSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-acetamidocyclopent-2-en-1-yl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-acetamidocyclopent-2-en-1-yl)methyl acetate?
The IUPAC name of (4-acetamidocyclopent-2-en-1-yl)methyl acetate (CID 10313536) is (4-acetamidocyclopent-2-en-1-yl)methyl acetate.
What is the SMILES notation for (4-acetamidocyclopent-2-en-1-yl)methyl acetate?
The canonical SMILES for (4-acetamidocyclopent-2-en-1-yl)methyl acetate is CC(=O)NC1C=CC(COC(C)=O)C1.
What is the InChIKey of (4-acetamidocyclopent-2-en-1-yl)methyl acetate?
The InChIKey is NUVGPCPCBFRPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(12)11-10-4-3-9(5-10)6-14-8(2)13/h3-4,9-10H,5-6H2,1-2H3,(H,11,12).
What are the key properties of (4-acetamidocyclopent-2-en-1-yl)methyl acetate?
(4-acetamidocyclopent-2-en-1-yl)methyl acetate has a molecular weight of 197.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidocyclopent-2-en-1-yl)methyl acetate is sourced from PubChem (CID 10313536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).