8a-methyl-5,6,7,8-tetrahydroindolizin-1-one

C9H13NO — CID 13047972

IUPAC8a-methyl-5,6,7,8-tetrahydroindolizin-1-one
SMILESCC12CCCCN1C=CC2=O
InChIInChI=1S/C9H13NO/c1-9-5-2-3-6-10(9)7-4-8(9)11/h4,7H,2-3,5-6H2,1H3
InChIKeyLUPDCIXKNJLKAL-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds

About 8a-methyl-5,6,7,8-tetrahydroindolizin-1-one

8a-methyl-5,6,7,8-tetrahydroindolizin-1-one (PubChem CID 13047972) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 8a-methyl-5,6,7,8-tetrahydroindolizin-1-one.

Molecular Properties

Compound Name8a-methyl-5,6,7,8-tetrahydroindolizin-1-one
PubChem CID13047972
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name8a-methyl-5,6,7,8-tetrahydroindolizin-1-one
SMILESCC12CCCCN1C=CC2=O
InChIInChI=1S/C9H13NO/c1-9-5-2-3-6-10(9)7-4-8(9)11/h4,7H,2-3,5-6H2,1H3
InChIKeyLUPDCIXKNJLKAL-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-5,6,7,8-tetrahydroindolizin-1-one?
The IUPAC name of 8a-methyl-5,6,7,8-tetrahydroindolizin-1-one (CID 13047972) is 8a-methyl-5,6,7,8-tetrahydroindolizin-1-one.
What is the SMILES notation for 8a-methyl-5,6,7,8-tetrahydroindolizin-1-one?
The canonical SMILES for 8a-methyl-5,6,7,8-tetrahydroindolizin-1-one is CC12CCCCN1C=CC2=O.
What is the InChIKey of 8a-methyl-5,6,7,8-tetrahydroindolizin-1-one?
The InChIKey is LUPDCIXKNJLKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9-5-2-3-6-10(9)7-4-8(9)11/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 8a-methyl-5,6,7,8-tetrahydroindolizin-1-one?
8a-methyl-5,6,7,8-tetrahydroindolizin-1-one has a molecular weight of 151.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-5,6,7,8-tetrahydroindolizin-1-one is sourced from PubChem (CID 13047972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).