8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one

C9H15NO — CID 10240998

IUPAC8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one
SMILESCC12CCCN1CCC(=O)C2
InChIInChI=1S/C9H15NO/c1-9-4-2-5-10(9)6-3-8(11)7-9/h2-7H2,1H3
InChIKeyKZORZKXCQFWVDB-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.20
Rot. Bonds

About 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one

8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one (PubChem CID 10240998) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one.

Molecular Properties

Compound Name8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one
PubChem CID10240998
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one
SMILESCC12CCCN1CCC(=O)C2
InChIInChI=1S/C9H15NO/c1-9-4-2-5-10(9)6-3-8(11)7-9/h2-7H2,1H3
InChIKeyKZORZKXCQFWVDB-UHFFFAOYSA-N
XLogP1.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one?
The IUPAC name of 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one (CID 10240998) is 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one.
What is the SMILES notation for 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one?
The canonical SMILES for 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one is CC12CCCN1CCC(=O)C2.
What is the InChIKey of 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one?
The InChIKey is KZORZKXCQFWVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9-4-2-5-10(9)6-3-8(11)7-9/h2-7H2,1H3.
What are the key properties of 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one?
8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one has a molecular weight of 153.22 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-1,2,3,5,6,8-hexahydroindolizin-7-one is sourced from PubChem (CID 10240998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).