1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione

C16H17NO3 — CID 4971148

IUPAC1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione
SMILESCC(=O)c1ccc(N2C(=O)CC(=CC(C)C)C2=O)cc1
InChIInChI=1S/C16H17NO3/c1-10(2)8-13-9-15(19)17(16(13)20)14-6-4-12(5-7-14)11(3)18/h4-8,10H,9H2,1-3H3
InChIKeyNBLBJCGORDBDES-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione

1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione (PubChem CID 4971148) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione
PubChem CID4971148
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione
SMILESCC(=O)c1ccc(N2C(=O)CC(=CC(C)C)C2=O)cc1
InChIInChI=1S/C16H17NO3/c1-10(2)8-13-9-15(19)17(16(13)20)14-6-4-12(5-7-14)11(3)18/h4-8,10H,9H2,1-3H3
InChIKeyNBLBJCGORDBDES-UHFFFAOYSA-N
XLogP2.73
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione (CID 4971148) is 1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione is CC(=O)c1ccc(N2C(=O)CC(=CC(C)C)C2=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione?
The InChIKey is NBLBJCGORDBDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10(2)8-13-9-15(19)17(16(13)20)14-6-4-12(5-7-14)11(3)18/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione?
1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione has a molecular weight of 271.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 4971148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).