3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one

C10H19NO2 — CID 139752183

IUPAC3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one
SMILESCCCC(C(C)=O)/C(C)=N/CCO
InChIInChI=1S/C10H19NO2/c1-4-5-10(9(3)13)8(2)11-6-7-12/h10,12H,4-7H2,1-3H3/b11-8+
InChIKeyPXDTVKZSPHLPKN-DHZHZOJOSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds6

About 3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one

3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one (PubChem CID 139752183) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one.

Molecular Properties

Compound Name3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one
PubChem CID139752183
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one
SMILESCCCC(C(C)=O)/C(C)=N/CCO
InChIInChI=1S/C10H19NO2/c1-4-5-10(9(3)13)8(2)11-6-7-12/h10,12H,4-7H2,1-3H3/b11-8+
InChIKeyPXDTVKZSPHLPKN-DHZHZOJOSA-N
XLogP1.44
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
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

5-(2-Hydroxyethylimino)-3,3-dimethylcyclohexan-1-one
CID 7013254
5-(2-Hydroxyethylimino)-2,2-dimethylhexan-3-one
CID 86180038
3-(C-methyl-N-propylcarbonimidoyl)hexan-2-one
CID 118001967
4-(2-Hydroxyethylimino)-3-methylpentan-2-one
CID 131227268
5-(2-Hydroxyethylimino)heptan-3-one
CID 139343060
3-Ethyl-4-(2-hydroxyethylimino)pentan-2-one
CID 139752199
5-(2-Hydroxyethylimino)-2,2,6,6-tetramethylheptan-3-one
CID 139890578
5-(1-Hydroxyethylimino)heptan-3-one
CID 173815352
5-(2-Hydroxyethylimino)-2,6-dimethylheptan-3-one
CID 101171163
5-[(2R)-2-hydroxypropyl]imino-2,6-dimethylheptan-3-one
CID 101171164
5-[(2S)-2-hydroxypropyl]imino-2,6-dimethylheptan-3-one
CID 101171165

Frequently Asked Questions

What is the IUPAC name of 3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one?
The IUPAC name of 3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one (CID 139752183) is 3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one.
What is the SMILES notation for 3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one?
The canonical SMILES for 3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one is CCCC(C(C)=O)/C(C)=N/CCO.
What is the InChIKey of 3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one?
The InChIKey is PXDTVKZSPHLPKN-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-10(9(3)13)8(2)11-6-7-12/h10,12H,4-7H2,1-3H3/b11-8+.
What are the key properties of 3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one?
3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one is sourced from PubChem (CID 139752183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).