(4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one

C17H13NO3 — CID 134119629

IUPAC(4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one
SMILESO=C1C(c2ccccc2)=C(O)/C(=N/O)C1c1ccccc1
InChIInChI=1S/C17H13NO3/c19-16-13(11-7-3-1-4-8-11)15(18-21)17(20)14(16)12-9-5-2-6-10-12/h1-10,13,20-21H/b18-15+
InChIKeyVLPQAVPGFCABFR-OBGWFSINSA-N
MW279.30 g/mol
LogP3.15
Rot. Bonds2

About (4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one

(4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one (PubChem CID 134119629) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one
PubChem CID134119629
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one
SMILESO=C1C(c2ccccc2)=C(O)/C(=N/O)C1c1ccccc1
InChIInChI=1S/C17H13NO3/c19-16-13(11-7-3-1-4-8-11)15(18-21)17(20)14(16)12-9-5-2-6-10-12/h1-10,13,20-21H/b18-15+
InChIKeyVLPQAVPGFCABFR-OBGWFSINSA-N
XLogP3.15
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one?
The IUPAC name of (4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one (CID 134119629) is (4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one.
What is the SMILES notation for (4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one?
The canonical SMILES for (4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one is O=C1C(c2ccccc2)=C(O)/C(=N/O)C1c1ccccc1.
What is the InChIKey of (4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one?
The InChIKey is VLPQAVPGFCABFR-OBGWFSINSA-N. The full InChI is InChI=1S/C17H13NO3/c19-16-13(11-7-3-1-4-8-11)15(18-21)17(20)14(16)12-9-5-2-6-10-12/h1-10,13,20-21H/b18-15+.
What are the key properties of (4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one?
(4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one has a molecular weight of 279.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-hydroxy-4-hydroxyimino-2,5-diphenylcyclopent-2-en-1-one is sourced from PubChem (CID 134119629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).