6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one

C9H15NO — CID 69483483

IUPAC6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
SMILESCC1CN2CCCC2CC1=O
InChIInChI=1S/C9H15NO/c1-7-6-10-4-2-3-8(10)5-9(7)11/h7-8H,2-6H2,1H3
InChIKeyMHLVLJVCURZGKN-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.06
Rot. Bonds

About 6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one

6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one (PubChem CID 69483483) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one.

Molecular Properties

Compound Name6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
PubChem CID69483483
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
SMILESCC1CN2CCCC2CC1=O
InChIInChI=1S/C9H15NO/c1-7-6-10-4-2-3-8(10)5-9(7)11/h7-8H,2-6H2,1H3
InChIKeyMHLVLJVCURZGKN-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The IUPAC name of 6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one (CID 69483483) is 6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one.
What is the SMILES notation for 6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The canonical SMILES for 6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one is CC1CN2CCCC2CC1=O.
What is the InChIKey of 6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The InChIKey is MHLVLJVCURZGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-6-10-4-2-3-8(10)5-9(7)11/h7-8H,2-6H2,1H3.
What are the key properties of 6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one has a molecular weight of 153.22 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one is sourced from PubChem (CID 69483483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).