3-butanoyl-1-ethenylpyrrolidin-2-one

C10H15NO2 — CID 67832579

IUPAC3-butanoyl-1-ethenylpyrrolidin-2-one
SMILESC=CN1CCC(C(=O)CCC)C1=O
InChIInChI=1S/C10H15NO2/c1-3-5-9(12)8-6-7-11(4-2)10(8)13/h4,8H,2-3,5-7H2,1H3
InChIKeyRIWOFIFREYVTMT-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.35
Rot. Bonds4

About 3-butanoyl-1-ethenylpyrrolidin-2-one

3-butanoyl-1-ethenylpyrrolidin-2-one (PubChem CID 67832579) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-butanoyl-1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-butanoyl-1-ethenylpyrrolidin-2-one
PubChem CID67832579
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-butanoyl-1-ethenylpyrrolidin-2-one
SMILESC=CN1CCC(C(=O)CCC)C1=O
InChIInChI=1S/C10H15NO2/c1-3-5-9(12)8-6-7-11(4-2)10(8)13/h4,8H,2-3,5-7H2,1H3
InChIKeyRIWOFIFREYVTMT-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-1-ethenylpyrrolidin-2-one?
The IUPAC name of 3-butanoyl-1-ethenylpyrrolidin-2-one (CID 67832579) is 3-butanoyl-1-ethenylpyrrolidin-2-one.
What is the SMILES notation for 3-butanoyl-1-ethenylpyrrolidin-2-one?
The canonical SMILES for 3-butanoyl-1-ethenylpyrrolidin-2-one is C=CN1CCC(C(=O)CCC)C1=O.
What is the InChIKey of 3-butanoyl-1-ethenylpyrrolidin-2-one?
The InChIKey is RIWOFIFREYVTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-5-9(12)8-6-7-11(4-2)10(8)13/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 3-butanoyl-1-ethenylpyrrolidin-2-one?
3-butanoyl-1-ethenylpyrrolidin-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 67832579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).