6-ethenyl-3-methylpiperidin-2-one

C8H13NO — CID 154148105

IUPAC6-ethenyl-3-methylpiperidin-2-one
SMILESC=CC1CCC(C)C(=O)N1
InChIInChI=1S/C8H13NO/c1-3-7-5-4-6(2)8(10)9-7/h3,6-7H,1,4-5H2,2H3,(H,9,10)
InChIKeyALRSQDIAQZFRIR-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.09
Rot. Bonds1

About 6-ethenyl-3-methylpiperidin-2-one

6-ethenyl-3-methylpiperidin-2-one (PubChem CID 154148105) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-ethenyl-3-methylpiperidin-2-one.

Molecular Properties

Compound Name6-ethenyl-3-methylpiperidin-2-one
PubChem CID154148105
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-ethenyl-3-methylpiperidin-2-one
SMILESC=CC1CCC(C)C(=O)N1
InChIInChI=1S/C8H13NO/c1-3-7-5-4-6(2)8(10)9-7/h3,6-7H,1,4-5H2,2H3,(H,9,10)
InChIKeyALRSQDIAQZFRIR-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-ethenyl-3-methylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-dimethylpropyl)-5-ethenylpyrrolidin-2-one
CID 166936226
(3R,5S)-5-methyl-3-prop-2-enylpyrrolidin-2-one
CID 55300790
trans-(2S,5R)-2-but-3-enyl-5-methylcyclopentan-1-one
CID 86338735
(3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one
CID 55303809
5-ethenyl-4-methylpyrrolidin-2-one
CID 141070744
1-[(2S,5S)-5-ethenylpyrrolidin-2-yl]ethanone
CID 118680062
3-methylazepan-2-one
CID 581216
2-ethenyl-6-methylpiperidine
CID 53405891
(3R)-3-ethenylpyrrolidin-2-one
CID 143588464
(5R)-2-ethenyl-5-ethylpyrrolidine
CID 58134997
3-methylazonan-2-one
CID 59032742
3-methyl-azacycloundecan-2-one
CID 118421477

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-methylpiperidin-2-one?
The IUPAC name of 6-ethenyl-3-methylpiperidin-2-one (CID 154148105) is 6-ethenyl-3-methylpiperidin-2-one.
What is the SMILES notation for 6-ethenyl-3-methylpiperidin-2-one?
The canonical SMILES for 6-ethenyl-3-methylpiperidin-2-one is C=CC1CCC(C)C(=O)N1.
What is the InChIKey of 6-ethenyl-3-methylpiperidin-2-one?
The InChIKey is ALRSQDIAQZFRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-7-5-4-6(2)8(10)9-7/h3,6-7H,1,4-5H2,2H3,(H,9,10).
What are the key properties of 6-ethenyl-3-methylpiperidin-2-one?
6-ethenyl-3-methylpiperidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-methylpiperidin-2-one is sourced from PubChem (CID 154148105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).