4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide

C14H15FN2O4 — CID 168902756

IUPAC4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide
SMILESC=C/C(F)=C1\C(=C)C(=O)N(C(C=O)CCC(=O)NC)C1=O
InChIInChI=1S/C14H15FN2O4/c1-4-10(15)12-8(2)13(20)17(14(12)21)9(7-18)5-6-11(19)16-3/h4,7,9H,1-2,5-6H2,3H3,(H,16,19)/b12-10-
InChIKeyKTFFIBFKTDAGGF-BENRWUELSA-N
MW294.28 g/mol
LogP0.41
Rot. Bonds6

About 4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide

4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide (PubChem CID 168902756) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide
PubChem CID168902756
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide
SMILESC=C/C(F)=C1\C(=C)C(=O)N(C(C=O)CCC(=O)NC)C1=O
InChIInChI=1S/C14H15FN2O4/c1-4-10(15)12-8(2)13(20)17(14(12)21)9(7-18)5-6-11(19)16-3/h4,7,9H,1-2,5-6H2,3H3,(H,16,19)/b12-10-
InChIKeyKTFFIBFKTDAGGF-BENRWUELSA-N
XLogP0.41
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.41
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
4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 142615726
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-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 155751620
3-[(3E,4Z)-3-ethylidene-4-(1-fluoroprop-2-enylidene)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 156794846
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-(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)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The IUPAC name of 4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide (CID 168902756) is 4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The canonical SMILES for 4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide is C=C/C(F)=C1\C(=C)C(=O)N(C(C=O)CCC(=O)NC)C1=O.
What is the InChIKey of 4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The InChIKey is KTFFIBFKTDAGGF-BENRWUELSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-4-10(15)12-8(2)13(20)17(14(12)21)9(7-18)5-6-11(19)16-3/h4,7,9H,1-2,5-6H2,3H3,(H,16,19)/b12-10-.
What are the key properties of 4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide has a molecular weight of 294.28 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 168902756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).