2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide

C15H20N2O3 — CID 170049159

IUPAC2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide
SMILESC=C/C=C1/C(=O)N(C(CCC=O)C(=O)NC)C/C1=C/C
InChIInChI=1S/C15H20N2O3/c1-4-7-12-11(5-2)10-17(15(12)20)13(8-6-9-18)14(19)16-3/h4-5,7,9,13H,1,6,8,10H2,2-3H3,(H,16,19)/b11-5-,12-7+
InChIKeyJARMJAPHQKNEFJ-SSLOBORASA-N
MW276.34 g/mol
LogP0.98
Rot. Bonds6

About 2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide

2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide (PubChem CID 170049159) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide
PubChem CID170049159
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide
SMILESC=C/C=C1/C(=O)N(C(CCC=O)C(=O)NC)C/C1=C/C
InChIInChI=1S/C15H20N2O3/c1-4-7-12-11(5-2)10-17(15(12)20)13(8-6-9-18)14(19)16-3/h4-5,7,9,13H,1,6,8,10H2,2-3H3,(H,16,19)/b11-5-,12-7+
InChIKeyJARMJAPHQKNEFJ-SSLOBORASA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.98
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 2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The IUPAC name of 2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide (CID 170049159) is 2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide is C=C/C=C1/C(=O)N(C(CCC=O)C(=O)NC)C/C1=C/C.
What is the InChIKey of 2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
The InChIKey is JARMJAPHQKNEFJ-SSLOBORASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-7-12-11(5-2)10-17(15(12)20)13(8-6-9-18)14(19)16-3/h4-5,7,9,13H,1,6,8,10H2,2-3H3,(H,16,19)/b11-5-,12-7+.
What are the key properties of 2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide?
2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide has a molecular weight of 276.34 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 170049159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).