4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide

C15H17FN2O4 — CID 142615726

IUPAC4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide
SMILESC=C/C=C1/C(=O)N(C(C=O)CCC(=O)NC)C(=O)/C1=C(/C)F
InChIInChI=1S/C15H17FN2O4/c1-4-5-11-13(9(2)16)15(22)18(14(11)21)10(8-19)6-7-12(20)17-3/h4-5,8,10H,1,6-7H2,2-3H3,(H,17,20)/b11-5+,13-9-
InChIKeyCSXPKTLSUNRNLZ-DKUVWDEASA-N
MW308.31 g/mol
LogP0.80
Rot. Bonds6

About 4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide

4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide (PubChem CID 142615726) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide
PubChem CID142615726
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide
SMILESC=C/C=C1/C(=O)N(C(C=O)CCC(=O)NC)C(=O)/C1=C(/C)F
InChIInChI=1S/C15H17FN2O4/c1-4-5-11-13(9(2)16)15(22)18(14(11)21)10(8-19)6-7-12(20)17-3/h4-5,8,10H,1,6-7H2,2-3H3,(H,17,20)/b11-5+,13-9-
InChIKeyCSXPKTLSUNRNLZ-DKUVWDEASA-N
XLogP0.80
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-fluoro-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)hepta-2,4-dienamide
CID 142368191
3-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 142616400
(2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide
CID 142616415
(2E,3Z)-2-ethylidene-5-fluoro-N-formyl-3-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]hexa-3,5-dienamide
CID 155357881
3-[(3E,4E)-3-ethylidene-4-(2-fluoroprop-2-enylidene)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 155357898
3-[(3E,4Z)-3-ethylidene-4-(1-fluoroprop-2-enylidene)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 156794846
(5E,7Z,9E)-10-fluoro-8-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,4-diazacyclododeca-5,7,9-triene-7-carboxamide
CID 164592611
2-(2,6-Dioxopiperidin-3-yl)-5-fluoro-5-methylcyclohepta[c]pyrrole-1,3-dione
CID 166685882
2-(5-Fluoro-1,3-dioxo-3a,4-dihydroisoindol-2-yl)-5-oxopentanamide
CID 166993665
3-[(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 167276631
4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 168902756
4-(5-fluoro-5-methyl-1,3-dioxocyclohepta[c]pyrrol-2-yl)-N-formylpentanamide
CID 170701593

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The IUPAC name of 4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide (CID 142615726) is 4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The canonical SMILES for 4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide is C=C/C=C1/C(=O)N(C(C=O)CCC(=O)NC)C(=O)/C1=C(/C)F.
What is the InChIKey of 4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The InChIKey is CSXPKTLSUNRNLZ-DKUVWDEASA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-4-5-11-13(9(2)16)15(22)18(14(11)21)10(8-19)6-7-12(20)17-3/h4-5,8,10H,1,6-7H2,2-3H3,(H,17,20)/b11-5+,13-9-.
What are the key properties of 4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide has a molecular weight of 308.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 142615726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).