(3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione

C15H17FN2O3 — CID 163267951

IUPAC(3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione
SMILESC=C1CCC(N2C(=O)C(=C(\F)CC)/C(=C\C)C2=O)C(=O)N1
InChIInChI=1S/C15H17FN2O3/c1-4-9-12(10(16)5-2)15(21)18(14(9)20)11-7-6-8(3)17-13(11)19/h4,11H,3,5-7H2,1-2H3,(H,17,19)/b9-4+,12-10-
InChIKeyTVPBRXFDALXWFF-OMGUQJHKSA-N
MW292.31 g/mol
LogP1.73
Rot. Bonds2

About (3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione

(3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione (PubChem CID 163267951) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is (3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione
PubChem CID163267951
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name(3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione
SMILESC=C1CCC(N2C(=O)C(=C(\F)CC)/C(=C\C)C2=O)C(=O)N1
InChIInChI=1S/C15H17FN2O3/c1-4-9-12(10(16)5-2)15(21)18(14(9)20)11-7-6-8(3)17-13(11)19/h4,11H,3,5-7H2,1-2H3,(H,17,19)/b9-4+,12-10-
InChIKeyTVPBRXFDALXWFF-OMGUQJHKSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)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

2-(2,6-Dioxopiperidin-3-yl)-5-fluoro-5,6-dihydroisoindole-1,3-dione
CID 134581950
3-(4-ethenyl-5-oxo-3-prop-1-en-2-yl-2H-pyrrol-1-yl)-3-fluoropiperidine-2,6-dione
CID 142305948
3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 142305955
3-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 142616400
(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one
CID 144767550
3-(2-fluorocyclohexa-1,5-dien-1-yl)-N-[(2R)-1-[(4E)-3-methylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propan-2-yl]propanamide
CID 145077816
3-(2-fluorocyclohexa-1,5-dien-1-yl)-N-[(2S)-1-[(4E)-3-methylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propan-2-yl]propanamide
CID 145077832
3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione
CID 145382042
2-(2,6-Dioxopiperidin-3-yl)-4-fluoro-5,6-dihydroisoindole-1,3-dione
CID 145407549
(3S)-3-[(4Z)-4-[(E)-1-amino-3-fluorobut-2-enylidene]-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 154980430
2-(2,6-Dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione
CID 155357553
3-[(3E,4E)-3-ethylidene-4-(2-fluoroprop-2-enylidene)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 155357898

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione (CID 163267951) is (3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione is C=C1CCC(N2C(=O)C(=C(\F)CC)/C(=C\C)C2=O)C(=O)N1.
What is the InChIKey of (3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione?
The InChIKey is TVPBRXFDALXWFF-OMGUQJHKSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-4-9-12(10(16)5-2)15(21)18(14(9)20)11-7-6-8(3)17-13(11)19/h4,11H,3,5-7H2,1-2H3,(H,17,19)/b9-4+,12-10-.
What are the key properties of (3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione?
(3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione has a molecular weight of 292.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 163267951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).