2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one

C13H21NO — CID 79544106

IUPAC2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one
SMILESC=CC(C)N1CCCC1C1CCCC1=O
InChIInChI=1S/C13H21NO/c1-3-10(2)14-9-5-7-12(14)11-6-4-8-13(11)15/h3,10-12H,1,4-9H2,2H3
InChIKeyCBOGJMLUAUBYOO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.39
Rot. Bonds3

About 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one

2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one (PubChem CID 79544106) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one
PubChem CID79544106
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one
SMILESC=CC(C)N1CCCC1C1CCCC1=O
InChIInChI=1S/C13H21NO/c1-3-10(2)14-9-5-7-12(14)11-6-4-8-13(11)15/h3,10-12H,1,4-9H2,2H3
InChIKeyCBOGJMLUAUBYOO-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one 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 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one?
The IUPAC name of 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one (CID 79544106) is 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one?
The canonical SMILES for 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one is C=CC(C)N1CCCC1C1CCCC1=O.
What is the InChIKey of 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one?
The InChIKey is CBOGJMLUAUBYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-10(2)14-9-5-7-12(14)11-6-4-8-13(11)15/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one?
2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-3-en-2-ylpyrrolidin-2-yl)cyclopentan-1-one is sourced from PubChem (CID 79544106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).