1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione

C9H13NO2 — CID 14943045

IUPAC1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(=C(C)C)C1=O
InChIInChI=1S/C9H13NO2/c1-4-10-8(11)5-7(6(2)3)9(10)12/h4-5H2,1-3H3
InChIKeyUSJFRPGDBBZJQQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.10
Rot. Bonds1

About 1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione

1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione (PubChem CID 14943045) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione
PubChem CID14943045
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(=C(C)C)C1=O
InChIInChI=1S/C9H13NO2/c1-4-10-8(11)5-7(6(2)3)9(10)12/h4-5H2,1-3H3
InChIKeyUSJFRPGDBBZJQQ-UHFFFAOYSA-N
XLogP1.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-propan-2-ylidenepyrrolidine-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

Related Compounds

1-((2E)-3,7-Dimethylocta-2,6-dien-1-yl)pyrrolidine-2,5-dione
CID 6443498
1-(3,7-Dimethylocta-2,6-dienyl)pyrrolidine-2,5-dione
CID 190630
1-Acetyl-3-ethyl-4-methyl-1H-pyrrol-2(5H)-one
CID 71391391
(3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione
CID 155645817
1-Methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione
CID 14736439
1-(4-Methylpent-3-enyl)pyrrolidine-2,5-dione
CID 86097288
1-[(E)-4-methylpent-2-enoyl]pyrrolidin-2-one
CID 11252348
(3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione
CID 5383031
Butanediamide, N,N,N',N'-tetraethyl-2-(1-methylethylidene)-
CID 551898
1-(3-Methylbut-2-enoyl)pyrrolidin-2-one
CID 11062777
1-Methyl-4-propan-2-ylidenepyrrolidin-2-one
CID 12032726
1-Methyl-3-(methylethylidene)azolidine-2,5-dione
CID 1257758

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione (CID 14943045) is 1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione is CCN1C(=O)CC(=C(C)C)C1=O.
What is the InChIKey of 1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione?
The InChIKey is USJFRPGDBBZJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-10-8(11)5-7(6(2)3)9(10)12/h4-5H2,1-3H3.
What are the key properties of 1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione?
1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione has a molecular weight of 167.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 14943045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).