2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one

C12H12N2O3 — CID 135530271

IUPAC2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one
SMILESO=C1CC(c2ccccc2)CC(=NO)C1=NO
InChIInChI=1S/C12H12N2O3/c15-11-7-9(8-4-2-1-3-5-8)6-10(13-16)12(11)14-17/h1-5,9,16-17H,6-7H2
InChIKeyUFWIQFLJKIESDI-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.79
Rot. Bonds1

About 2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one

2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one (PubChem CID 135530271) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one.

Molecular Properties

Compound Name2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one
PubChem CID135530271
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one
SMILESO=C1CC(c2ccccc2)CC(=NO)C1=NO
InChIInChI=1S/C12H12N2O3/c15-11-7-9(8-4-2-1-3-5-8)6-10(13-16)12(11)14-17/h1-5,9,16-17H,6-7H2
InChIKeyUFWIQFLJKIESDI-UHFFFAOYSA-N
XLogP1.79
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(3-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 72727345
2-methylidene-5-phenylcyclohexane-1,3-dione
CID 54567672
3-hydroxy-2-[(E)-hydroxyiminomethyl]-5-phenylcyclohex-2-en-1-one
CID 146647200
(2E)-3-(2-hydroxyethylimino)-2-(1-hydroxypropylidene)-5-phenylcyclohexan-1-one
CID 135823341
N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
CID 74425280
(7R)-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 30033725
(NE)-N-[(6S)-3-methyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene]hydroxylamine
CID 6339382
(NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
CID 135923483
2-[[2-(1-hydroxypropylidene)-3-oxo-5-phenylcyclohexylidene]amino]propanoic acid
CID 137186986
6-phenyl-6,7-dihydro-5H-quinolin-8-one
CID 12036201
(3E)-1-bromo-3-hydroxyimino-5-phenylpyrrolidin-2-one
CID 6399057
(6R)-6-phenyl-1,5,6,7-tetrahydroindazol-4-one
CID 7340088

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one?
The IUPAC name of 2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one (CID 135530271) is 2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one.
What is the SMILES notation for 2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one?
The canonical SMILES for 2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one is O=C1CC(c2ccccc2)CC(=NO)C1=NO.
What is the InChIKey of 2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one?
The InChIKey is UFWIQFLJKIESDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11-7-9(8-4-2-1-3-5-8)6-10(13-16)12(11)14-17/h1-5,9,16-17H,6-7H2.
What are the key properties of 2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one?
2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one has a molecular weight of 232.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(hydroxyimino)-5-phenylcyclohexan-1-one is sourced from PubChem (CID 135530271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).