2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one

C10H15NO — CID 13331592

IUPAC2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one
SMILESCC1=CC2(C)CCCCN2C1=O
InChIInChI=1S/C10H15NO/c1-8-7-10(2)5-3-4-6-11(10)9(8)12/h7H,3-6H2,1-2H3
InChIKeyWYMOKZUMYRHZIM-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds

About 2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one

2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one (PubChem CID 13331592) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one
PubChem CID13331592
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one
SMILESCC1=CC2(C)CCCCN2C1=O
InChIInChI=1S/C10H15NO/c1-8-7-10(2)5-3-4-6-11(10)9(8)12/h7H,3-6H2,1-2H3
InChIKeyWYMOKZUMYRHZIM-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-6,7,8,8a-tetrahydro-3(5H)-indolizinone
CID 13331588
2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 13331589
7-tert-butyl-2-methyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 13662399
2-Methyl-2-azatricyclo[5.2.2.01,5]undeca-4,8,10-trien-3-one
CID 12773181
2-Prop-2-enyl-2-azatricyclo[5.2.2.01,5]undeca-4,8,10-trien-3-one
CID 102592894
(9R,11aR)-9-ethenyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one
CID 134946641
(8R,10aS)-8-ethenyl-6-methyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
CID 134946683
(8R,10aS)-8-ethenyl-7,8-dihydro-3H-pyrrolo[2,1-i]indol-5-one
CID 134966114
(9R,11aS)-9-ethenyl-2-methyl-3,4,8,9-tetrahydropyrido[2,1-i]indol-6-one
CID 179010525
(S)-6,7,8,8A-tetrahydroindolizin-3(5H)-one
CID 10953577
2,4-Dimethyl-2-azatricyclo[5.2.2.01,5]undeca-4,8,10-trien-3-one
CID 12773183
1-methyl-5,6,7,7a-tetrahydro-4H-indol-2-one
CID 10057690

Frequently Asked Questions

What is the IUPAC name of 2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one?
The IUPAC name of 2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one (CID 13331592) is 2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one.
What is the SMILES notation for 2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one?
The canonical SMILES for 2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one is CC1=CC2(C)CCCCN2C1=O.
What is the InChIKey of 2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one?
The InChIKey is WYMOKZUMYRHZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-7-10(2)5-3-4-6-11(10)9(8)12/h7H,3-6H2,1-2H3.
What are the key properties of 2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one?
2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8a-dimethyl-5,6,7,8-tetrahydroindolizin-3-one is sourced from PubChem (CID 13331592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).