8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one

C11H15NO — CID 121450182

IUPAC8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one
SMILESC=CCC12CC=CCN1C(=O)CC2
InChIInChI=1S/C11H15NO/c1-2-6-11-7-3-4-9-12(11)10(13)5-8-11/h2-4H,1,5-9H2
InChIKeyDSZZMVOJZCPJLY-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.88
Rot. Bonds2

About 8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one

8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one (PubChem CID 121450182) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one
PubChem CID121450182
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one
SMILESC=CCC12CC=CCN1C(=O)CC2
InChIInChI=1S/C11H15NO/c1-2-6-11-7-3-4-9-12(11)10(13)5-8-11/h2-4H,1,5-9H2
InChIKeyDSZZMVOJZCPJLY-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 601567
1,5,6,8a-tetrahydro-3(2H)-indolizinone
CID 10887976
N-Propyl-4-cyclohexene-1,2-dicarboximide
CID 16236
1-Cyclohex-2-en-1-ylpyrrolidin-2-one
CID 14074666
(8aS)-7-methyl-8a-(2-methylprop-2-enyl)-1,2,5,8-tetrahydroindolizin-3-one
CID 58193768
(8aR)-7-methyl-8a-(2-methylprop-2-enyl)-1,2,5,8-tetrahydroindolizin-3-one
CID 58193784
1,5,5-Tris(prop-2-enyl)pyrrolidin-2-one
CID 101720946
1,3,3a,4,7,7a-Hexahydroisoindol-2-yl(cyclopentyl)methanone
CID 71874006
3-Butyl-3-azabicyclo[2.2.1]hept-5-en-2-one
CID 129905141
1,2,8,8A-tetrahydroindolizin-3(5H)-one
CID 15857276
8-methyl-2,5,6,8a-tetrahydro-1H-indolizin-3-one
CID 12913464
[(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
CID 36691114

Frequently Asked Questions

What is the IUPAC name of 8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one?
The IUPAC name of 8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one (CID 121450182) is 8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one.
What is the SMILES notation for 8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one?
The canonical SMILES for 8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one is C=CCC12CC=CCN1C(=O)CC2.
What is the InChIKey of 8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one?
The InChIKey is DSZZMVOJZCPJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-6-11-7-3-4-9-12(11)10(13)5-8-11/h2-4H,1,5-9H2.
What are the key properties of 8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one?
8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one has a molecular weight of 177.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-prop-2-enyl-1,2,5,8-tetrahydroindolizin-3-one is sourced from PubChem (CID 121450182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).