6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C10H15NO — CID 90712043

IUPAC6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESC=CC1CCC2CCCN2C1=O
InChIInChI=1S/C10H15NO/c1-2-8-5-6-9-4-3-7-11(9)10(8)12/h2,8-9H,1,3-7H2
InChIKeyDFSQFGYOWURNKZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.57
Rot. Bonds1

About 6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 90712043) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID90712043
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESC=CC1CCC2CCCN2C1=O
InChIInChI=1S/C10H15NO/c1-2-8-5-6-9-4-3-7-11(9)10(8)12/h2,8-9H,1,3-7H2
InChIKeyDFSQFGYOWURNKZ-UHFFFAOYSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-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

8-prop-2-enyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 17756831
(8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11693960
7-methylenehexahydro-3(2H)-indolizinone
CID 13409895
2-Methylidene-1,3,6,7,8,8a-hexahydroindolizin-5-one
CID 14744514
(1R,8aS)-1-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 134833782
(8R,8aR)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 134957210
3-[(3S,8R,8aS)-5-oxo-3-prop-2-enyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-8-yl]propanenitrile
CID 134981136
(4S,8R)-1-azatricyclo[6.3.1.04,12]dodec-5-en-11-one
CID 135075821
6-Methylidene-1,2,3,7,8,8a-hexahydroindolizin-5-one
CID 300239
(8aS)-8-methylidene-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 10942629
6-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 12934962
1-Azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one
CID 58709752

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of 6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 90712043) is 6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for 6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for 6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is C=CC1CCC2CCCN2C1=O.
What is the InChIKey of 6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is DFSQFGYOWURNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-8-5-6-9-4-3-7-11(9)10(8)12/h2,8-9H,1,3-7H2.
What are the key properties of 6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 165.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 90712043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).