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

C14H15FN2O3 — CID 163267810

IUPAC(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione
SMILESC=C1CCC(N2C(=O)C(=C(/C)F)/C(=C\C)C2=O)C(=O)N1
InChIInChI=1S/C14H15FN2O3/c1-4-9-11(8(3)15)14(20)17(13(9)19)10-6-5-7(2)16-12(10)18/h4,10H,2,5-6H2,1,3H3,(H,16,18)/b9-4+,11-8-
InChIKeySNYAIOYGIDHAAL-JTUOORNZSA-N
MW278.28 g/mol
LogP1.34
Rot. Bonds1

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

(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione (PubChem CID 163267810) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is (3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione
PubChem CID163267810
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione
SMILESC=C1CCC(N2C(=O)C(=C(/C)F)/C(=C\C)C2=O)C(=O)N1
InChIInChI=1S/C14H15FN2O3/c1-4-9-11(8(3)15)14(20)17(13(9)19)10-6-5-7(2)16-12(10)18/h4,10H,2,5-6H2,1,3H3,(H,16,18)/b9-4+,11-8-
InChIKeySNYAIOYGIDHAAL-JTUOORNZSA-N
XLogP1.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.34
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'}

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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-2-carboxamide
CID 72050188
2-(2,6-Dioxopiperidin-3-yl)-5-fluoro-5,6-dihydroisoindole-1,3-dione
CID 134581950
3-fluoro-3-(3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 141245440
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
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

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione (CID 163267810) is (3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione is C=C1CCC(N2C(=O)C(=C(/C)F)/C(=C\C)C2=O)C(=O)N1.
What is the InChIKey of (3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione?
The InChIKey is SNYAIOYGIDHAAL-JTUOORNZSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-4-9-11(8(3)15)14(20)17(13(9)19)10-6-5-7(2)16-12(10)18/h4,10H,2,5-6H2,1,3H3,(H,16,18)/b9-4+,11-8-.
What are the key properties of (3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione?
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione has a molecular weight of 278.28 g/mol, XLogP of 1.34, 1 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-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 163267810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).