(5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one

C19H17NO2 — CID 71659073

IUPAC(5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one
SMILESC/C(O)=C1\C=CC(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H17NO2/c1-14(21)17-12-13-18(15-8-4-2-5-9-15)20(19(17)22)16-10-6-3-7-11-16/h2-13,18,21H,1H3/b17-14-
InChIKeyNMNZBHWSXDIQQE-VKAVYKQESA-N
MW291.35 g/mol
LogP4.16
Rot. Bonds2

About (5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one

(5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one (PubChem CID 71659073) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one.

Molecular Properties

Compound Name(5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one
PubChem CID71659073
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one
SMILESC/C(O)=C1\C=CC(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H17NO2/c1-14(21)17-12-13-18(15-8-4-2-5-9-15)20(19(17)22)16-10-6-3-7-11-16/h2-13,18,21H,1H3/b17-14-
InChIKeyNMNZBHWSXDIQQE-VKAVYKQESA-N
XLogP4.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one
CID 71659072
(5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one
CID 71659068
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
3-acetyl-1,4-diphenylazetidin-2-one
CID 12575792
3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one
CID 14790403
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
(2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one
CID 802741
(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one
CID 15419094
2-methyl-1,4-diphenyl-2H-pyrrol-5-one
CID 174901051
(4E,5S)-4-[hydroxy(phenyl)methylidene]-1,5-diphenylpyrrolidine-2,3-dione
CID 5441812
1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one
CID 549352

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one?
The IUPAC name of (5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one (CID 71659073) is (5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one.
What is the SMILES notation for (5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one?
The canonical SMILES for (5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one is C/C(O)=C1\C=CC(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of (5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one?
The InChIKey is NMNZBHWSXDIQQE-VKAVYKQESA-N. The full InChI is InChI=1S/C19H17NO2/c1-14(21)17-12-13-18(15-8-4-2-5-9-15)20(19(17)22)16-10-6-3-7-11-16/h2-13,18,21H,1H3/b17-14-.
What are the key properties of (5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one?
(5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one has a molecular weight of 291.35 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one is sourced from PubChem (CID 71659073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).