1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one

C15H16N2O — CID 82063293

IUPAC1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one
SMILESNCCn1ccc(/C=C/c2ccccc2)cc1=O
InChIInChI=1S/C15H16N2O/c16-9-11-17-10-8-14(12-15(17)18)7-6-13-4-2-1-3-5-13/h1-8,10,12H,9,11,16H2/b7-6+
InChIKeyAXUUGDCFIJERAB-VOTSOKGWSA-N
MW240.31 g/mol
LogP1.98
Rot. Bonds4

About 1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one

1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one (PubChem CID 82063293) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one
PubChem CID82063293
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one
SMILESNCCn1ccc(/C=C/c2ccccc2)cc1=O
InChIInChI=1S/C15H16N2O/c16-9-11-17-10-8-14(12-15(17)18)7-6-13-4-2-1-3-5-13/h1-8,10,12H,9,11,16H2/b7-6+
InChIKeyAXUUGDCFIJERAB-VOTSOKGWSA-N
XLogP1.98
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
CID 82063295
1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82063283
1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
CID 94746444
3-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanethioamide
CID 82151233
1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82150999
1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one
CID 66872629
3-(2-oxo-1-propyl-4-pyridinyl)prop-2-enoic acid
CID 151236325
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile
CID 82143768
1-[(4-aminophenyl)methyl]-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 94758175
2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid
CID 82063254
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]ethanethioamide
CID 82151350
2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid
CID 94758815

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one?
The IUPAC name of 1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one (CID 82063293) is 1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one is NCCn1ccc(/C=C/c2ccccc2)cc1=O.
What is the InChIKey of 1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one?
The InChIKey is AXUUGDCFIJERAB-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H16N2O/c16-9-11-17-10-8-14(12-15(17)18)7-6-13-4-2-1-3-5-13/h1-8,10,12H,9,11,16H2/b7-6+.
What are the key properties of 1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one?
1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one has a molecular weight of 240.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one is sourced from PubChem (CID 82063293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).