3-(2-hydroxyethylimino)cyclohexan-1-one

C8H13NO2 — CID 13375163

IUPAC3-(2-hydroxyethylimino)cyclohexan-1-one
SMILESO=C1CCC/C(=N\CCO)C1
InChIInChI=1S/C8H13NO2/c10-5-4-9-7-2-1-3-8(11)6-7/h10H,1-6H2/b9-7+
InChIKeyWHFAEUZZNBTOQT-VQHVLOKHSA-N
MW155.20 g/mol
LogP0.56
Rot. Bonds2

About 3-(2-hydroxyethylimino)cyclohexan-1-one

3-(2-hydroxyethylimino)cyclohexan-1-one (PubChem CID 13375163) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(2-hydroxyethylimino)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2-hydroxyethylimino)cyclohexan-1-one
PubChem CID13375163
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-(2-hydroxyethylimino)cyclohexan-1-one
SMILESO=C1CCC/C(=N\CCO)C1
InChIInChI=1S/C8H13NO2/c10-5-4-9-7-2-1-3-8(11)6-7/h10H,1-6H2/b9-7+
InChIKeyWHFAEUZZNBTOQT-VQHVLOKHSA-N
XLogP0.56
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylimino)cyclohexan-1-one?
The IUPAC name of 3-(2-hydroxyethylimino)cyclohexan-1-one (CID 13375163) is 3-(2-hydroxyethylimino)cyclohexan-1-one.
What is the SMILES notation for 3-(2-hydroxyethylimino)cyclohexan-1-one?
The canonical SMILES for 3-(2-hydroxyethylimino)cyclohexan-1-one is O=C1CCC/C(=N\CCO)C1.
What is the InChIKey of 3-(2-hydroxyethylimino)cyclohexan-1-one?
The InChIKey is WHFAEUZZNBTOQT-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13NO2/c10-5-4-9-7-2-1-3-8(11)6-7/h10H,1-6H2/b9-7+.
What are the key properties of 3-(2-hydroxyethylimino)cyclohexan-1-one?
3-(2-hydroxyethylimino)cyclohexan-1-one has a molecular weight of 155.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylimino)cyclohexan-1-one is sourced from PubChem (CID 13375163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).