4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide

C12H21NO3 — CID 73001274

IUPAC4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide
SMILESCON(C)C(=O)C(C)C(O)CC1CC=CC1
InChIInChI=1S/C12H21NO3/c1-9(12(15)13(2)16-3)11(14)8-10-6-4-5-7-10/h4-5,9-11,14H,6-8H2,1-3H3
InChIKeyVWIZUCPMDQMMCO-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.36
Rot. Bonds5

About 4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide

4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide (PubChem CID 73001274) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide.

Molecular Properties

Compound Name4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide
PubChem CID73001274
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide
SMILESCON(C)C(=O)C(C)C(O)CC1CC=CC1
InChIInChI=1S/C12H21NO3/c1-9(12(15)13(2)16-3)11(14)8-10-6-4-5-7-10/h4-5,9-11,14H,6-8H2,1-3H3
InChIKeyVWIZUCPMDQMMCO-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide 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-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide?
The IUPAC name of 4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide (CID 73001274) is 4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide.
What is the SMILES notation for 4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide?
The canonical SMILES for 4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide is CON(C)C(=O)C(C)C(O)CC1CC=CC1.
What is the InChIKey of 4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide?
The InChIKey is VWIZUCPMDQMMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(12(15)13(2)16-3)11(14)8-10-6-4-5-7-10/h4-5,9-11,14H,6-8H2,1-3H3.
What are the key properties of 4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide?
4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide has a molecular weight of 227.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopent-3-en-1-yl-3-hydroxy-N-methoxy-N,2-dimethylbutanamide is sourced from PubChem (CID 73001274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).