(2Z)-2-phenylmethoxyiminocyclohexan-1-one

C13H15NO2 — CID 88531753

IUPAC(2Z)-2-phenylmethoxyiminocyclohexan-1-one
SMILESO=C1CCCC/C1=N/OCc1ccccc1
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/b14-12-
InChIKeyLBDSKOLOXLLOLI-OWBHPGMISA-N
MW217.27 g/mol
LogP2.70
Rot. Bonds3

About (2Z)-2-phenylmethoxyiminocyclohexan-1-one

(2Z)-2-phenylmethoxyiminocyclohexan-1-one (PubChem CID 88531753) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2Z)-2-phenylmethoxyiminocyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-phenylmethoxyiminocyclohexan-1-one
PubChem CID88531753
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2Z)-2-phenylmethoxyiminocyclohexan-1-one
SMILESO=C1CCCC/C1=N/OCc1ccccc1
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/b14-12-
InChIKeyLBDSKOLOXLLOLI-OWBHPGMISA-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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-phenylmethoxyiminocyclohexan-1-one?
The IUPAC name of (2Z)-2-phenylmethoxyiminocyclohexan-1-one (CID 88531753) is (2Z)-2-phenylmethoxyiminocyclohexan-1-one.
What is the SMILES notation for (2Z)-2-phenylmethoxyiminocyclohexan-1-one?
The canonical SMILES for (2Z)-2-phenylmethoxyiminocyclohexan-1-one is O=C1CCCC/C1=N/OCc1ccccc1.
What is the InChIKey of (2Z)-2-phenylmethoxyiminocyclohexan-1-one?
The InChIKey is LBDSKOLOXLLOLI-OWBHPGMISA-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/b14-12-.
What are the key properties of (2Z)-2-phenylmethoxyiminocyclohexan-1-one?
(2Z)-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 (2Z)-2-phenylmethoxyiminocyclohexan-1-one is sourced from PubChem (CID 88531753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).