4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide

C15H22N2O3 — CID 155358167

IUPAC4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide
SMILESC/C=C1/CN(C(C)CCC(=O)NC=O)C(=O)/C1=C/CC
InChIInChI=1S/C15H22N2O3/c1-4-6-13-12(5-2)9-17(15(13)20)11(3)7-8-14(19)16-10-18/h5-6,10-11H,4,7-9H2,1-3H3,(H,16,18,19)/b12-5-,13-6+
InChIKeyXNCNWORYDGSHML-UWRPRBHNSA-N
MW278.35 g/mol
LogP1.55
Rot. Bonds6

About 4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide

4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide (PubChem CID 155358167) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide.

Molecular Properties

Compound Name4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide
PubChem CID155358167
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide
SMILESC/C=C1/CN(C(C)CCC(=O)NC=O)C(=O)/C1=C/CC
InChIInChI=1S/C15H22N2O3/c1-4-6-13-12(5-2)9-17(15(13)20)11(3)7-8-14(19)16-10-18/h5-6,10-11H,4,7-9H2,1-3H3,(H,16,18,19)/b12-5-,13-6+
InChIKeyXNCNWORYDGSHML-UWRPRBHNSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide?
The IUPAC name of 4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide (CID 155358167) is 4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide.
What is the SMILES notation for 4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide?
The canonical SMILES for 4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide is C/C=C1/CN(C(C)CCC(=O)NC=O)C(=O)/C1=C/CC.
What is the InChIKey of 4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide?
The InChIKey is XNCNWORYDGSHML-UWRPRBHNSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-6-13-12(5-2)9-17(15(13)20)11(3)7-8-14(19)16-10-18/h5-6,10-11H,4,7-9H2,1-3H3,(H,16,18,19)/b12-5-,13-6+.
What are the key properties of 4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide?
4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide has a molecular weight of 278.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,4E)-4-ethylidene-2-oxo-3-propylidenepyrrolidin-1-yl]-N-formylpentanamide is sourced from PubChem (CID 155358167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).