1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one

C22H19NO2 — CID 66872629

IUPAC1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one
SMILESO=c1cc(/C=C/c2ccccc2)ccn1-c1ccc(/C=C/CO)cc1
InChIInChI=1S/C22H19NO2/c24-16-4-7-19-10-12-21(13-11-19)23-15-14-20(17-22(23)25)9-8-18-5-2-1-3-6-18/h1-15,17,24H,16H2/b7-4+,9-8+
InChIKeyMSSHNYKPHOEEGB-NUXDXBQRSA-N
MW329.40 g/mol
LogP4.01
Rot. Bonds5

About 1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one

1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one (PubChem CID 66872629) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one
PubChem CID66872629
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one
SMILESO=c1cc(/C=C/c2ccccc2)ccn1-c1ccc(/C=C/CO)cc1
InChIInChI=1S/C22H19NO2/c24-16-4-7-19-10-12-21(13-11-19)23-15-14-20(17-22(23)25)9-8-18-5-2-1-3-6-18/h1-15,17,24H,16H2/b7-4+,9-8+
InChIKeyMSSHNYKPHOEEGB-NUXDXBQRSA-N
XLogP4.01
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one?
The IUPAC name of 1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one (CID 66872629) is 1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one?
The canonical SMILES for 1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one is O=c1cc(/C=C/c2ccccc2)ccn1-c1ccc(/C=C/CO)cc1.
What is the InChIKey of 1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one?
The InChIKey is MSSHNYKPHOEEGB-NUXDXBQRSA-N. The full InChI is InChI=1S/C22H19NO2/c24-16-4-7-19-10-12-21(13-11-19)23-15-14-20(17-22(23)25)9-8-18-5-2-1-3-6-18/h1-15,17,24H,16H2/b7-4+,9-8+.
What are the key properties of 1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one?
1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one has a molecular weight of 329.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one is sourced from PubChem (CID 66872629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).