6-ethenylpiperidin-2-one

C7H11NO — CID 22163942

IUPAC6-ethenylpiperidin-2-one
SMILESC=CC1CCCC(=O)N1
InChIInChI=1S/C7H11NO/c1-2-6-4-3-5-7(9)8-6/h2,6H,1,3-5H2,(H,8,9)
InChIKeyPHTBAFVXOHHDBZ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds1

About 6-ethenylpiperidin-2-one

6-ethenylpiperidin-2-one (PubChem CID 22163942) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-ethenylpiperidin-2-one.

Molecular Properties

Compound Name6-ethenylpiperidin-2-one
PubChem CID22163942
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6-ethenylpiperidin-2-one
SMILESC=CC1CCCC(=O)N1
InChIInChI=1S/C7H11NO/c1-2-6-4-3-5-7(9)8-6/h2,6H,1,3-5H2,(H,8,9)
InChIKeyPHTBAFVXOHHDBZ-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(Prop-2-en-1-yl)piperidin-2-one
CID 14507689
2-Azabicyclo(2.2.2)oct-5-en-3-one
CID 55285700
6-Pentadeca-1,3,6,9-tetraenyl-piperidin-2-one
CID 44272003
6-But-3-enylpiperidin-2-one
CID 9989435
6-Propadienylpiperidin-2-one
CID 13286849
1-But-3-enyl-6-ethenylpiperidin-2-one
CID 14942502
6-Buta-2,3-dien-2-ylpiperidin-2-one
CID 101107957
3,6-Divinylpiperidone
CID 129653511
6-Ethenyl-1-pent-4-enylpiperidin-2-one
CID 131874685
6-Ethenyl-1-hex-5-enylpiperidin-2-one
CID 134897626
6-Buta-1,3-dien-2-ylpiperidin-2-one
CID 12104445
(5R,6S)-6-ethenyl-5-ethylpiperidin-2-one
CID 131124388

Frequently Asked Questions

What is the IUPAC name of 6-ethenylpiperidin-2-one?
The IUPAC name of 6-ethenylpiperidin-2-one (CID 22163942) is 6-ethenylpiperidin-2-one.
What is the SMILES notation for 6-ethenylpiperidin-2-one?
The canonical SMILES for 6-ethenylpiperidin-2-one is C=CC1CCCC(=O)N1.
What is the InChIKey of 6-ethenylpiperidin-2-one?
The InChIKey is PHTBAFVXOHHDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-6-4-3-5-7(9)8-6/h2,6H,1,3-5H2,(H,8,9).
What are the key properties of 6-ethenylpiperidin-2-one?
6-ethenylpiperidin-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenylpiperidin-2-one is sourced from PubChem (CID 22163942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).