1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one

C17H19NO2 — CID 82150999

IUPAC1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
SMILESCc1cccc(/C=C/c2ccn(CCCO)c(=O)c2)c1
InChIInChI=1S/C17H19NO2/c1-14-4-2-5-15(12-14)6-7-16-8-10-18(9-3-11-19)17(20)13-16/h2,4-8,10,12-13,19H,3,9,11H2,1H3/b7-6+
InChIKeyCMNMNZGTBMOSOR-VOTSOKGWSA-N
MW269.34 g/mol
LogP2.71
Rot. Bonds5

About 1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one

1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one (PubChem CID 82150999) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
PubChem CID82150999
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
SMILESCc1cccc(/C=C/c2ccn(CCCO)c(=O)c2)c1
InChIInChI=1S/C17H19NO2/c1-14-4-2-5-15(12-14)6-7-16-8-10-18(9-3-11-19)17(20)13-16/h2,4-8,10,12-13,19H,3,9,11H2,1H3/b7-6+
InChIKeyCMNMNZGTBMOSOR-VOTSOKGWSA-N
XLogP2.71
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82063283
1-[(4-aminophenyl)methyl]-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 94758175
4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile
CID 82150701
4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 94757606
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one
CID 82063293
1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82143926
(E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 107202427
3-(2-oxo-1-propyl-4-pyridinyl)prop-2-enoic acid
CID 151236325
4-methyl-1-octylpyridin-2-one
CID 116622543
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid
CID 82063254

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one (CID 82150999) is 1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one is Cc1cccc(/C=C/c2ccn(CCCO)c(=O)c2)c1.
What is the InChIKey of 1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one?
The InChIKey is CMNMNZGTBMOSOR-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H19NO2/c1-14-4-2-5-15(12-14)6-7-16-8-10-18(9-3-11-19)17(20)13-16/h2,4-8,10,12-13,19H,3,9,11H2,1H3/b7-6+.
What are the key properties of 1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one?
1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one has a molecular weight of 269.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one is sourced from PubChem (CID 82150999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).