1-methyl-3-methylidene-5-phenylpyrrolidin-2-one

C12H13NO — CID 10702746

IUPAC1-methyl-3-methylidene-5-phenylpyrrolidin-2-one
SMILESC=C1CC(c2ccccc2)N(C)C1=O
InChIInChI=1S/C12H13NO/c1-9-8-11(13(2)12(9)14)10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3
InChIKeyIPOLJDAHUDUPIC-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.15
Rot. Bonds1

About 1-methyl-3-methylidene-5-phenylpyrrolidin-2-one

1-methyl-3-methylidene-5-phenylpyrrolidin-2-one (PubChem CID 10702746) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-methyl-3-methylidene-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-methylidene-5-phenylpyrrolidin-2-one
PubChem CID10702746
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-methyl-3-methylidene-5-phenylpyrrolidin-2-one
SMILESC=C1CC(c2ccccc2)N(C)C1=O
InChIInChI=1S/C12H13NO/c1-9-8-11(13(2)12(9)14)10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3
InChIKeyIPOLJDAHUDUPIC-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidene-5-phenylpyrrolidin-2-one?
The IUPAC name of 1-methyl-3-methylidene-5-phenylpyrrolidin-2-one (CID 10702746) is 1-methyl-3-methylidene-5-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-methylidene-5-phenylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-methylidene-5-phenylpyrrolidin-2-one is C=C1CC(c2ccccc2)N(C)C1=O.
What is the InChIKey of 1-methyl-3-methylidene-5-phenylpyrrolidin-2-one?
The InChIKey is IPOLJDAHUDUPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-8-11(13(2)12(9)14)10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3.
What are the key properties of 1-methyl-3-methylidene-5-phenylpyrrolidin-2-one?
1-methyl-3-methylidene-5-phenylpyrrolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidene-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 10702746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).