5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one

C10H17NO2 — CID 7013254

IUPAC5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\CCO)C1
InChIInChI=1S/C10H17NO2/c1-10(2)6-8(11-3-4-12)5-9(13)7-10/h12H,3-7H2,1-2H3/b11-8+
InChIKeyKSZVSGYEQMASSI-DHZHZOJOSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds2

About 5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one

5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one (PubChem CID 7013254) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one
PubChem CID7013254
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one
SMILESCC1(C)CC(=O)C/C(=N\CCO)C1
InChIInChI=1S/C10H17NO2/c1-10(2)6-8(11-3-4-12)5-9(13)7-10/h12H,3-7H2,1-2H3/b11-8+
InChIKeyKSZVSGYEQMASSI-DHZHZOJOSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,3-Dimethyl-5-oxocyclohexylidene)amino]acetic acid
CID 676799
3,3-Dimethyl-5-propyliminocyclohexan-1-one
CID 7309587
5-Ethylimino-3,3-dimethylcyclohexan-1-one
CID 7157416
2-Ethylimino-4,4-dimethylcyclohexan-1-one
CID 56989613
3-Ethylimino-4,4-dimethylcyclohexan-1-one
CID 57031861
6-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
CID 57045005
4,4-Dimethyl-2-propyliminocyclohexan-1-one
CID 57156006
4,4-Dimethyl-3-propyliminocyclohexan-1-one
CID 57290312
5-(2-Hydroxyethylimino)-2,2-dimethylhexan-3-one
CID 86180038
3,3-Dimethyl-5-propan-2-yliminocyclohexan-1-one
CID 91037931
3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one
CID 139752183
5-(2-Hydroxyethylimino)-2,2,6,6-tetramethylheptan-3-one
CID 139890578

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one?
The IUPAC name of 5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one (CID 7013254) is 5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one.
What is the SMILES notation for 5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one?
The canonical SMILES for 5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one is CC1(C)CC(=O)C/C(=N\CCO)C1.
What is the InChIKey of 5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one?
The InChIKey is KSZVSGYEQMASSI-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2)6-8(11-3-4-12)5-9(13)7-10/h12H,3-7H2,1-2H3/b11-8+.
What are the key properties of 5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one?
5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylimino)-3,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 7013254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).