8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one

C9H13NO — CID 73115230

IUPAC8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one
SMILESCC1=CCC(=O)N2CCCC12
InChIInChI=1S/C9H13NO/c1-7-4-5-9(11)10-6-2-3-8(7)10/h4,8H,2-3,5-6H2,1H3
InChIKeyIRPQISJRGTUBDC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds

About 8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one

8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one (PubChem CID 73115230) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one
PubChem CID73115230
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one
SMILESCC1=CCC(=O)N2CCCC12
InChIInChI=1S/C9H13NO/c1-7-4-5-9(11)10-6-2-3-8(7)10/h4,8H,2-3,5-6H2,1H3
InChIKeyIRPQISJRGTUBDC-UHFFFAOYSA-N
XLogP1.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one?
The IUPAC name of 8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one (CID 73115230) is 8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one.
What is the SMILES notation for 8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one?
The canonical SMILES for 8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one is CC1=CCC(=O)N2CCCC12.
What is the InChIKey of 8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one?
The InChIKey is IRPQISJRGTUBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-5-9(11)10-6-2-3-8(7)10/h4,8H,2-3,5-6H2,1H3.
What are the key properties of 8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one?
8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one has a molecular weight of 151.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,6,8a-tetrahydro-1H-indolizin-5-one is sourced from PubChem (CID 73115230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).