1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one

C10H17NO2 — CID 10103842

IUPAC1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CCCC/C1=N/O
InChIInChI=1S/C10H17NO2/c1-7(2)10(12)8-5-3-4-6-9(8)11-13/h7-8,13H,3-6H2,1-2H3/b11-9-
InChIKeyYPAZTSBUESVEBE-LUAWRHEFSA-N
MW183.25 g/mol
LogP2.23
Rot. Bonds2

About 1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one

1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one (PubChem CID 10103842) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one
PubChem CID10103842
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CCCC/C1=N/O
InChIInChI=1S/C10H17NO2/c1-7(2)10(12)8-5-3-4-6-9(8)11-13/h7-8,13H,3-6H2,1-2H3/b11-9-
InChIKeyYPAZTSBUESVEBE-LUAWRHEFSA-N
XLogP2.23
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one?
The IUPAC name of 1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one (CID 10103842) is 1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one is CC(C)C(=O)C1CCCC/C1=N/O.
What is the InChIKey of 1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one?
The InChIKey is YPAZTSBUESVEBE-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)10(12)8-5-3-4-6-9(8)11-13/h7-8,13H,3-6H2,1-2H3/b11-9-.
What are the key properties of 1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one?
1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one has a molecular weight of 183.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-hydroxyiminocyclohexyl]-2-methylpropan-1-one is sourced from PubChem (CID 10103842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).