(3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione

C7H9NO2 — CID 20583994

IUPAC(3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione
SMILESC/C=C1\CC(=O)N(C)C1=O
InChIInChI=1S/C7H9NO2/c1-3-5-4-6(9)8(2)7(5)10/h3H,4H2,1-2H3/b5-3+
InChIKeyOVLGJUXUSUZXQX-HWKANZROSA-N
MW139.15 g/mol
LogP0.32
Rot. Bonds

About (3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione

(3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione (PubChem CID 20583994) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione
PubChem CID20583994
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione
SMILESC/C=C1\CC(=O)N(C)C1=O
InChIInChI=1S/C7H9NO2/c1-3-5-4-6(9)8(2)7(5)10/h3H,4H2,1-2H3/b5-3+
InChIKeyOVLGJUXUSUZXQX-HWKANZROSA-N
XLogP0.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.32
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 (3E)-3-ethylidene-1-methylpyrrolidine-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
N-allylitaconimide
CID 89137080
(3E)-1-methyl-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one
CID 10511545
1-(3,7-Dimethylocta-2,6-dienyl)pyrrolidine-2,5-dione
CID 190630
(3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione
CID 155351023
(3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione
CID 155645817
1-Methyl-3-methylidenepyrrolidine-2,5-dione
CID 13230836
1-(4-Methylpent-3-enyl)pyrrolidine-2,5-dione
CID 86097288
1-[(E)-4-methylpent-2-enoyl]pyrrolidin-2-one
CID 11252348
N-methylphthalimide rhodamine
CID 129888103
(3Z)-1-methyl-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one
CID 101992766
1-Methyl-3-(methylethylidene)azolidine-2,5-dione
CID 1257758

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione (CID 20583994) is (3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione is C/C=C1\CC(=O)N(C)C1=O.
What is the InChIKey of (3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione?
The InChIKey is OVLGJUXUSUZXQX-HWKANZROSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-5-4-6(9)8(2)7(5)10/h3H,4H2,1-2H3/b5-3+.
What are the key properties of (3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione?
(3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione has a molecular weight of 139.15 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 20583994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).