N-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide

C16H16N2O3 — CID 118689453

IUPACN-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1
InChIInChI=1S/C16H16N2O3/c1-12(19)17-14-8-5-13(6-9-14)7-10-16(21)18-11-3-2-4-15(18)20/h2,4-10H,3,11H2,1H3,(H,17,19)/b10-7+
InChIKeyMEIHRUQHMGORBZ-JXMROGBWSA-N
MW284.32 g/mol
LogP1.97
Rot. Bonds3

About N-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide

N-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide (PubChem CID 118689453) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide
PubChem CID118689453
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1
InChIInChI=1S/C16H16N2O3/c1-12(19)17-14-8-5-13(6-9-14)7-10-16(21)18-11-3-2-4-15(18)20/h2,4-10H,3,11H2,1H3,(H,17,19)/b10-7+
InChIKeyMEIHRUQHMGORBZ-JXMROGBWSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide (CID 118689453) is N-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1.
What is the InChIKey of N-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide?
The InChIKey is MEIHRUQHMGORBZ-JXMROGBWSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12(19)17-14-8-5-13(6-9-14)7-10-16(21)18-11-3-2-4-15(18)20/h2,4-10H,3,11H2,1H3,(H,17,19)/b10-7+.
What are the key properties of N-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide?
N-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide has a molecular weight of 284.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenyl]acetamide is sourced from PubChem (CID 118689453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).