N-Methyl-4-piperidone

N-Methyl-4-piperidone
Compound Structure:
Synonyms: 1-methylpiperidin-4-one; 1-Methyl-4-piperidone; N-Methyl-4-piperidone; 1-Methyl-4-piperidinone; 4-Piperidone, 1-methyl-; N-Methyl-4-piperidinone; 1-Methyl-4-piperidione; 1-Methyl-4-oxopiperidine; 1-methyl-piperidin-4-one; N-methylpiperidine-4-one
Compound ID: NMPC-1314
PubChem ID:

74049
Molecular Formula: C6H11NO
Canonical SMILES: CN1CCC(=O)CC1
InChIKey: HUUPVABNAQUEJW-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

113.16 g/mol

XLogP3-AA

-0.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

113.084063974 g/mol

Monoisotopic Mass

113.084063974 g/mol

Topological Polar Surface Area

20.3Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

90.7

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Clear dark yellow liquid

Source: PubChem        
Source Species: Sclerocarya birrea spp caffra
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