(4S)-4-ethenyl-1-methylpyrrolidin-2-one

C7H11NO — CID 166445265

IUPAC(4S)-4-ethenyl-1-methylpyrrolidin-2-one
SMILESC=C[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C7H11NO/c1-3-6-4-7(9)8(2)5-6/h3,6H,1,4-5H2,2H3/t6-/m1/s1
InChIKeyRLAMYLRTIMSWIT-ZCFIWIBFSA-N
MW125.17 g/mol
LogP0.65
Rot. Bonds1

About (4S)-4-ethenyl-1-methylpyrrolidin-2-one

(4S)-4-ethenyl-1-methylpyrrolidin-2-one (PubChem CID 166445265) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (4S)-4-ethenyl-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-ethenyl-1-methylpyrrolidin-2-one
PubChem CID166445265
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(4S)-4-ethenyl-1-methylpyrrolidin-2-one
SMILESC=C[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C7H11NO/c1-3-6-4-7(9)8(2)5-6/h3,6H,1,4-5H2,2H3/t6-/m1/s1
InChIKeyRLAMYLRTIMSWIT-ZCFIWIBFSA-N
XLogP0.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4S)-4-ethenyl-1-methylpyrrolidin-2-one?
The IUPAC name of (4S)-4-ethenyl-1-methylpyrrolidin-2-one (CID 166445265) is (4S)-4-ethenyl-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-ethenyl-1-methylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-ethenyl-1-methylpyrrolidin-2-one is C=C[C@@H]1CC(=O)N(C)C1.
What is the InChIKey of (4S)-4-ethenyl-1-methylpyrrolidin-2-one?
The InChIKey is RLAMYLRTIMSWIT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-6-4-7(9)8(2)5-6/h3,6H,1,4-5H2,2H3/t6-/m1/s1.
What are the key properties of (4S)-4-ethenyl-1-methylpyrrolidin-2-one?
(4S)-4-ethenyl-1-methylpyrrolidin-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenyl-1-methylpyrrolidin-2-one is sourced from PubChem (CID 166445265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).