7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one

C9H13NO — CID 142154447

IUPAC7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one
SMILESCC1=CCN2CC(=O)CC2C1
InChIInChI=1S/C9H13NO/c1-7-2-3-10-6-9(11)5-8(10)4-7/h2,8H,3-6H2,1H3
InChIKeyRGTIQKIYJAPLTK-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.98
Rot. Bonds

About 7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one

7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one (PubChem CID 142154447) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one.

Molecular Properties

Compound Name7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one
PubChem CID142154447
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one
SMILESCC1=CCN2CC(=O)CC2C1
InChIInChI=1S/C9H13NO/c1-7-2-3-10-6-9(11)5-8(10)4-7/h2,8H,3-6H2,1H3
InChIKeyRGTIQKIYJAPLTK-UHFFFAOYSA-N
XLogP0.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanone, 1-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)-(9CI)
CID 585756
1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl]ethanone
CID 10012258
2-Acetyltrop-2-ene
CID 10877478
1-(1,2,3,5,6,8a-Hexahydroindolizin-8-yl)butan-1-one
CID 10932306
1-((8aR)-1,2,3,5,6,8a-Hexahydroindolizin-8-yl)butan-1-one
CID 182107
1-[(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]butan-1-one
CID 12309415
3,5,8,8a-tetrahydro-2H-indolizin-1-one
CID 10920568
1-(8-Methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)propan-1-one
CID 12036868
(8aS)-2-methyl-5,6,8,8a-tetrahydro-3H-indolizin-7-one
CID 45088312
3,5,6,8a-tetrahydro-2H-indolizin-1-one
CID 57215494
(2Z,8aS)-2-ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one
CID 57457962
(2Z,8aS)-2-propylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one
CID 57457967

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one?
The IUPAC name of 7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one (CID 142154447) is 7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one.
What is the SMILES notation for 7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one?
The canonical SMILES for 7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one is CC1=CCN2CC(=O)CC2C1.
What is the InChIKey of 7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one?
The InChIKey is RGTIQKIYJAPLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-2-3-10-6-9(11)5-8(10)4-7/h2,8H,3-6H2,1H3.
What are the key properties of 7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one?
7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one has a molecular weight of 151.21 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,5,8,8a-tetrahydro-1H-indolizin-2-one is sourced from PubChem (CID 142154447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).