1-[cyclohexyl(hydroxy)amino]propan-2-one

C9H17NO2 — CID 123340068

IUPAC1-[cyclohexyl(hydroxy)amino]propan-2-one
SMILESCC(=O)CN(O)C1CCCCC1
InChIInChI=1S/C9H17NO2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h9,12H,2-7H2,1H3
InChIKeyDWXZBJFGTHWGGQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.60
Rot. Bonds3

About 1-[cyclohexyl(hydroxy)amino]propan-2-one

1-[cyclohexyl(hydroxy)amino]propan-2-one (PubChem CID 123340068) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[cyclohexyl(hydroxy)amino]propan-2-one.

Molecular Properties

Compound Name1-[cyclohexyl(hydroxy)amino]propan-2-one
PubChem CID123340068
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-[cyclohexyl(hydroxy)amino]propan-2-one
SMILESCC(=O)CN(O)C1CCCCC1
InChIInChI=1S/C9H17NO2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h9,12H,2-7H2,1H3
InChIKeyDWXZBJFGTHWGGQ-UHFFFAOYSA-N
XLogP1.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(dicyclohexylamino)propan-2-one
CID 43219211
N-cyclononyl-N-hydroxyacetamide
CID 135197506
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
N-cyclohexyl-2-(dimethylamino)-N-hydroxyacetamide
CID 22123686
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
CID 113166274
2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid
CID 70554590
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
CID 60952245

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(hydroxy)amino]propan-2-one?
The IUPAC name of 1-[cyclohexyl(hydroxy)amino]propan-2-one (CID 123340068) is 1-[cyclohexyl(hydroxy)amino]propan-2-one.
What is the SMILES notation for 1-[cyclohexyl(hydroxy)amino]propan-2-one?
The canonical SMILES for 1-[cyclohexyl(hydroxy)amino]propan-2-one is CC(=O)CN(O)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(hydroxy)amino]propan-2-one?
The InChIKey is DWXZBJFGTHWGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h9,12H,2-7H2,1H3.
What are the key properties of 1-[cyclohexyl(hydroxy)amino]propan-2-one?
1-[cyclohexyl(hydroxy)amino]propan-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(hydroxy)amino]propan-2-one is sourced from PubChem (CID 123340068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).