2-ethenyl-1-methylpyrrolidin-3-one

C7H11NO — CID 57084282

IUPAC2-ethenyl-1-methylpyrrolidin-3-one
SMILESC=CC1C(=O)CCN1C
InChIInChI=1S/C7H11NO/c1-3-6-7(9)4-5-8(6)2/h3,6H,1,4-5H2,2H3
InChIKeyMOWQDUPOVMMPJY-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.45
Rot. Bonds1

About 2-ethenyl-1-methylpyrrolidin-3-one

2-ethenyl-1-methylpyrrolidin-3-one (PubChem CID 57084282) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-ethenyl-1-methylpyrrolidin-3-one.

Molecular Properties

Compound Name2-ethenyl-1-methylpyrrolidin-3-one
PubChem CID57084282
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-ethenyl-1-methylpyrrolidin-3-one
SMILESC=CC1C(=O)CCN1C
InChIInChI=1S/C7H11NO/c1-3-6-7(9)4-5-8(6)2/h3,6H,1,4-5H2,2H3
InChIKeyMOWQDUPOVMMPJY-UHFFFAOYSA-N
XLogP0.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethenyl-1-methylpyrrolidin-3-one?
The IUPAC name of 2-ethenyl-1-methylpyrrolidin-3-one (CID 57084282) is 2-ethenyl-1-methylpyrrolidin-3-one.
What is the SMILES notation for 2-ethenyl-1-methylpyrrolidin-3-one?
The canonical SMILES for 2-ethenyl-1-methylpyrrolidin-3-one is C=CC1C(=O)CCN1C.
What is the InChIKey of 2-ethenyl-1-methylpyrrolidin-3-one?
The InChIKey is MOWQDUPOVMMPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-6-7(9)4-5-8(6)2/h3,6H,1,4-5H2,2H3.
What are the key properties of 2-ethenyl-1-methylpyrrolidin-3-one?
2-ethenyl-1-methylpyrrolidin-3-one has a molecular weight of 125.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methylpyrrolidin-3-one is sourced from PubChem (CID 57084282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).