2-phenylmethoxyiminocyclohexan-1-one

C13H15NO2 — CID 123257370

IUPAC2-phenylmethoxyiminocyclohexan-1-one
SMILESO=C1CCCCC1=NOCc1ccccc1
InChIInChI=1S/C13H15NO2/c15-13-9-5-4-8-12(13)14-16-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyLBDSKOLOXLLOLI-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.70
Rot. Bonds3

About 2-phenylmethoxyiminocyclohexan-1-one

2-phenylmethoxyiminocyclohexan-1-one (PubChem CID 123257370) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-phenylmethoxyiminocyclohexan-1-one.

Molecular Properties

Compound Name2-phenylmethoxyiminocyclohexan-1-one
PubChem CID123257370
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-phenylmethoxyiminocyclohexan-1-one
SMILESO=C1CCCCC1=NOCc1ccccc1
InChIInChI=1S/C13H15NO2/c15-13-9-5-4-8-12(13)14-16-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyLBDSKOLOXLLOLI-UHFFFAOYSA-N
XLogP2.70
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-phenylmethoxyiminocyclohexan-1-one
CID 88531753
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
CID 123594616
(2Z)-2-triphenylsilyloxyiminocyclohexan-1-one
CID 88531906
benzyl nitrite;cyclohexane
CID 175094734
(2E)-2-[[3-phenyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxyimino]cyclohexan-1-one
CID 156786666
1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
CID 87328565
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
N-[(4-phenylmethoxyphenyl)methyl]cyclopentanimine
CID 23343854
3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676204
3,4,5,6-tetrachloro-1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
CID 87328504
2-phenylmethoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 40628715
benzyl 3-hydroxyimino-4-oxopiperidine-1-carboxylate
CID 86617182

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyiminocyclohexan-1-one?
The IUPAC name of 2-phenylmethoxyiminocyclohexan-1-one (CID 123257370) is 2-phenylmethoxyiminocyclohexan-1-one.
What is the SMILES notation for 2-phenylmethoxyiminocyclohexan-1-one?
The canonical SMILES for 2-phenylmethoxyiminocyclohexan-1-one is O=C1CCCCC1=NOCc1ccccc1.
What is the InChIKey of 2-phenylmethoxyiminocyclohexan-1-one?
The InChIKey is LBDSKOLOXLLOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13-9-5-4-8-12(13)14-16-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 2-phenylmethoxyiminocyclohexan-1-one?
2-phenylmethoxyiminocyclohexan-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyiminocyclohexan-1-one is sourced from PubChem (CID 123257370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).