(3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione

C7H8FNO2 — CID 155351023

IUPAC(3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione
SMILESCCN1C(=O)C/C(=C/F)C1=O
InChIInChI=1S/C7H8FNO2/c1-2-9-6(10)3-5(4-8)7(9)11/h4H,2-3H2,1H3/b5-4-
InChIKeyMUJCIFQBCZTCNO-PLNGDYQASA-N
MW157.14 g/mol
LogP0.62
Rot. Bonds1

About (3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione

(3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione (PubChem CID 155351023) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is (3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione
PubChem CID155351023
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name(3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione
SMILESCCN1C(=O)C/C(=C/F)C1=O
InChIInChI=1S/C7H8FNO2/c1-2-9-6(10)3-5(4-8)7(9)11/h4H,2-3H2,1H3/b5-4-
InChIKeyMUJCIFQBCZTCNO-PLNGDYQASA-N
XLogP0.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.62
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 (3Z)-1-ethyl-3-(fluoromethylidene)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

Related Compounds

1-Methyl-3-methylidenepyrrolidin-2-one
CID 10844354
1-(2-Methylacryloyl)pyrrolidin-2-one
CID 21867967
2,5-Pyrrolidinedione, 1-(2-methyl-2-propenyl)-
CID 1910855
N-allylitaconimide
CID 89137080
3-Methylidene-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 155351077
3-Methylidene-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
CID 155351145
(4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione
CID 155351155
(3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione
CID 155645817
1-Methyl-3-methylidenepyrrolidine-2,5-dione
CID 13230836
2,5-Pyrrolidinedione, 1-(2-fluoro-2-propenyl)-
CID 45088533
(3E)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione
CID 5476900
3-Methylidene-1-propan-2-ylpyrrolidin-2-one
CID 10129998

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione?
The IUPAC name of (3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione (CID 155351023) is (3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for (3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione?
The canonical SMILES for (3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione is CCN1C(=O)C/C(=C/F)C1=O.
What is the InChIKey of (3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione?
The InChIKey is MUJCIFQBCZTCNO-PLNGDYQASA-N. The full InChI is InChI=1S/C7H8FNO2/c1-2-9-6(10)3-5(4-8)7(9)11/h4H,2-3H2,1H3/b5-4-.
What are the key properties of (3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione?
(3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione has a molecular weight of 157.14 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 155351023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).