5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one

C14H13NO2 — CID 69263919

IUPAC5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one
SMILESC=CC(=O)C1C(=O)NC(=C)C1c1ccccc1
InChIInChI=1S/C14H13NO2/c1-3-11(16)13-12(9(2)15-14(13)17)10-7-5-4-6-8-10/h3-8,12-13H,1-2H2,(H,15,17)
InChIKeyCZZBLXTWUKRQIF-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.78
Rot. Bonds3

About 5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one

5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one (PubChem CID 69263919) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one
PubChem CID69263919
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one
SMILESC=CC(=O)C1C(=O)NC(=C)C1c1ccccc1
InChIInChI=1S/C14H13NO2/c1-3-11(16)13-12(9(2)15-14(13)17)10-7-5-4-6-8-10/h3-8,12-13H,1-2H2,(H,15,17)
InChIKeyCZZBLXTWUKRQIF-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one?
The IUPAC name of 5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one (CID 69263919) is 5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one.
What is the SMILES notation for 5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one?
The canonical SMILES for 5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one is C=CC(=O)C1C(=O)NC(=C)C1c1ccccc1.
What is the InChIKey of 5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one?
The InChIKey is CZZBLXTWUKRQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-3-11(16)13-12(9(2)15-14(13)17)10-7-5-4-6-8-10/h3-8,12-13H,1-2H2,(H,15,17).
What are the key properties of 5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one?
5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one has a molecular weight of 227.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4-phenyl-3-prop-2-enoylpyrrolidin-2-one is sourced from PubChem (CID 69263919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).