(2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one

C15H11NO2 — CID 6399542

IUPAC(2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one
SMILESO=C1/C(=N\O)C(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H11NO2/c17-15-12-9-5-4-8-11(12)13(14(15)16-18)10-6-2-1-3-7-10/h1-9,13,18H/b16-14-
InChIKeyTXRMUKQKPSRVSL-PEZBUJJGSA-N
MW237.26 g/mol
LogP2.85
Rot. Bonds1

About (2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one

(2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one (PubChem CID 6399542) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one
PubChem CID6399542
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name(2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one
SMILESO=C1/C(=N\O)C(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H11NO2/c17-15-12-9-5-4-8-11(12)13(14(15)16-18)10-6-2-1-3-7-10/h1-9,13,18H/b16-14-
InChIKeyTXRMUKQKPSRVSL-PEZBUJJGSA-N
XLogP2.85
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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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Related Compounds

Phenindione
CID 4760
Fluorenone
CID 10241
1,3-Indandione, 2-benzoyl-
CID 95022
1-Indanone, 3-phenyl-
CID 98146
(1E)-1,2-Diphenyl-1,2-ethanedione 1-oxime
CID 6399014
Difezon
CID 5375071
2-Cinnamoyl-1H-indene-1,3(2H)-dione
CID 948573
2-(Diphenylacetyl)-1,3-indandione 1-hydrazone
CID 92993
2-(Hydroxyimino)-2,3-dihydro-1H-inden-1-one
CID 6399489
Benzil (Z)-monoxime
CID 6398987
1-Oxo-3-phenyl-2,3-dihydro-1h-indene-2-carbonitrile
CID 268499
(Z)-N-(1-oxo-1H-inden-2(3H)-ylidene)methanamine oxide
CID 660555

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one?
The IUPAC name of (2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one (CID 6399542) is (2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one.
What is the SMILES notation for (2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one?
The canonical SMILES for (2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one is O=C1/C(=N\O)C(c2ccccc2)c2ccccc21.
What is the InChIKey of (2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one?
The InChIKey is TXRMUKQKPSRVSL-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H11NO2/c17-15-12-9-5-4-8-11(12)13(14(15)16-18)10-6-2-1-3-7-10/h1-9,13,18H/b16-14-.
What are the key properties of (2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one?
(2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-3-phenyl-3H-inden-1-one is sourced from PubChem (CID 6399542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).