(E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one

C23H19NO2 — CID 134868095

IUPAC(E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one
SMILESO=C(/C=C(\C/C(=N/O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NO2/c25-23(20-14-8-3-9-15-20)17-21(18-10-4-1-5-11-18)16-22(24-26)19-12-6-2-7-13-19/h1-15,17,26H,16H2/b21-17+,24-22-
InChIKeyZUGYWDCMQOWBFQ-LQINFFAQSA-N
MW341.41 g/mol
LogP5.22
Rot. Bonds6

About (E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one

(E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one (PubChem CID 134868095) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one.

Molecular Properties

Compound Name(E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one
PubChem CID134868095
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name(E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one
SMILESO=C(/C=C(\C/C(=N/O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NO2/c25-23(20-14-8-3-9-15-20)17-21(18-10-4-1-5-11-18)16-22(24-26)19-12-6-2-7-13-19/h1-15,17,26H,16H2/b21-17+,24-22-
InChIKeyZUGYWDCMQOWBFQ-LQINFFAQSA-N
XLogP5.22
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Phenyl-1,2-propanedione-2-oxime
CID 9566063
1,2-Propanedione, 1-phenyl-, 2-oxime
CID 6399024
Hydrazonodeoxybenzoin
CID 5538956
(1E)-1,2-Diphenyl-1,2-ethanedione 1-oxime
CID 6399014
(2Z)-2-hydrazinylidene-1,2-diphenylethanone
CID 5370734
Ethanone, diazodiphenyl-
CID 137954
Benzil (Z)-monoxime
CID 6398987
2-Butene-1,4-dione, 1,2,4-triphenyl-, (Z)-
CID 5369696
2-Pentene-1,5-dione, 1,3,5-triphenyl-
CID 90979
2-Hydroxyimino-1-tetralone
CID 6813148
1,2,4-Triphenylbut-2-ene-1,4-dione
CID 228452
1,2-Diphenyl-1,2-ethanedione 1-(O-(ethoxycarbonyl)oxime)
CID 2738122

Frequently Asked Questions

What is the IUPAC name of (E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one?
The IUPAC name of (E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one (CID 134868095) is (E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one.
What is the SMILES notation for (E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one?
The canonical SMILES for (E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one is O=C(/C=C(\C/C(=N/O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one?
The InChIKey is ZUGYWDCMQOWBFQ-LQINFFAQSA-N. The full InChI is InChI=1S/C23H19NO2/c25-23(20-14-8-3-9-15-20)17-21(18-10-4-1-5-11-18)16-22(24-26)19-12-6-2-7-13-19/h1-15,17,26H,16H2/b21-17+,24-22-.
What are the key properties of (E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one?
(E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one has a molecular weight of 341.41 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5Z)-5-hydroxyimino-1,3,5-triphenylpent-2-en-1-one is sourced from PubChem (CID 134868095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).