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2-Piperidone

CAT: 0926-FP09656-02Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FP09656-02Size:0.25 kg
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CAS Number
675-20-7
Synonyms
δ-Valerolactam
MDL Number
MFCD00006037
Smiles
C1CCNC (=O) C1
Molecular Formula
C5H9NO
Molecular Weight
99.13 g/mol
Controlled
No

Chemical Information

2-Piperidone

Piperidin-2-one is a delta-lactam that is piperidine which is substituted by an oxo group at position 2. It has a role as an EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor. It is a member of piperidones and a delta-lactam.

CAS Number675-20-7
PubChem CID12665
IUPAC Namepiperidin-2-one
Molecular FormulaC5H9NO
Molecular Weight99.13
XLogP-0.5
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity80
SMILES
C1CCNC(=O)C1
InChI
InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
InChIKey
XUWHAWMETYGRKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Piperidone
CAS: 675-20-7
CID: 12665
Formula: C5H9NO
MW: 99.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight99.13
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass99.068413911
Monoisotopic Mass99.068413911
Topological Polar Surface Area29.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity80.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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