4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide

C15H18N2O4 — CID 155358387

IUPAC4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide
SMILESC=C/C=C1/C(=O)N(C(C)CCC(=O)NC=O)C(=O)/C1=C/C
InChIInChI=1S/C15H18N2O4/c1-4-6-12-11(5-2)14(20)17(15(12)21)10(3)7-8-13(19)16-9-18/h4-6,9-10H,1,7-8H2,2-3H3,(H,16,18,19)/b11-5+,12-6+
InChIKeyKKDRHAUWABMIGL-YDWXAUTNSA-N
MW290.32 g/mol
LogP0.86
Rot. Bonds6

About 4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide

4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide (PubChem CID 155358387) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide.

Molecular Properties

Compound Name4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide
PubChem CID155358387
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide
SMILESC=C/C=C1/C(=O)N(C(C)CCC(=O)NC=O)C(=O)/C1=C/C
InChIInChI=1S/C15H18N2O4/c1-4-6-12-11(5-2)14(20)17(15(12)21)10(3)7-8-13(19)16-9-18/h4-6,9-10H,1,7-8H2,2-3H3,(H,16,18,19)/b11-5+,12-6+
InChIKeyKKDRHAUWABMIGL-YDWXAUTNSA-N
XLogP0.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.86
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

4-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 142615726
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
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
4-[3-ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]-N-formylpentanamide
CID 178055695
(3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide
CID 154710873
(3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154711264
4-[3-ethyl-4-[(1E)-2-fluorobuta-1,3-dienyl]-2,5-dioxopyrrol-1-yl]-N-formylpentanamide
CID 169229012
(3E,4E)-3-(2-aminoethylidene)-1-(2-methylpropyl)-4-prop-2-enylidenepyrrolidine-2,5-dione
CID 89074093
5-amino-2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5,6-dihydroisoindole-1,3-dione
CID 89153955
N-acetyl-2-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propanamide
CID 130442025

Frequently Asked Questions

What is the IUPAC name of 4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide?
The IUPAC name of 4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide (CID 155358387) is 4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide.
What is the SMILES notation for 4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide?
The canonical SMILES for 4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide is C=C/C=C1/C(=O)N(C(C)CCC(=O)NC=O)C(=O)/C1=C/C.
What is the InChIKey of 4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide?
The InChIKey is KKDRHAUWABMIGL-YDWXAUTNSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-6-12-11(5-2)14(20)17(15(12)21)10(3)7-8-13(19)16-9-18/h4-6,9-10H,1,7-8H2,2-3H3,(H,16,18,19)/b11-5+,12-6+.
What are the key properties of 4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide?
4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide has a molecular weight of 290.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-N-formylpentanamide is sourced from PubChem (CID 155358387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).