(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one

C12H24N2O2 — CID 17027005

IUPAC(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one
SMILESCN(C)CCCCCCCCC(=O)/C=N/O
InChIInChI=1S/C12H24N2O2/c1-14(2)10-8-6-4-3-5-7-9-12(15)11-13-16/h11,16H,3-10H2,1-2H3/b13-11+
InChIKeyZGVASHKGRBMDIQ-ACCUITESSA-N
MW228.34 g/mol
LogP2.31
Rot. Bonds10

About (1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one

(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one (PubChem CID 17027005) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one.

Molecular Properties

Compound Name(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one
PubChem CID17027005
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one
SMILESCN(C)CCCCCCCCC(=O)/C=N/O
InChIInChI=1S/C12H24N2O2/c1-14(2)10-8-6-4-3-5-7-9-12(15)11-13-16/h11,16H,3-10H2,1-2H3/b13-11+
InChIKeyZGVASHKGRBMDIQ-ACCUITESSA-N
XLogP2.31
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one
CID 51713838
27-(dimethylamino)heptacos-1-en-3-one
CID 139647791
6-(dimethylamino)-N-methylhexanamide
CID 58019688
(1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one
CID 6405380
N-[10-(dimethylamino)decyl]-2-hydroxyiminoacetamide
CID 6614497
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
7-(dimethylamino)hept-2-en-4-one
CID 173414808
15-(dimethylamino)-3-methylpentadecan-4-one
CID 143840613
2-[14-(dimethylamino)tetradecanoylamino]-4-sulfanylbutanoic acid
CID 89495807
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
lithium 5-(dimethylamino)pentanoate
CID 172641180

Frequently Asked Questions

What is the IUPAC name of (1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one?
The IUPAC name of (1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one (CID 17027005) is (1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one.
What is the SMILES notation for (1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one?
The canonical SMILES for (1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one is CN(C)CCCCCCCCC(=O)/C=N/O.
What is the InChIKey of (1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one?
The InChIKey is ZGVASHKGRBMDIQ-ACCUITESSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(2)10-8-6-4-3-5-7-9-12(15)11-13-16/h11,16H,3-10H2,1-2H3/b13-11+.
What are the key properties of (1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one?
(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one has a molecular weight of 228.34 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one is sourced from PubChem (CID 17027005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).