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

C9H15NO — CID 12820659

IUPAC3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC1CCC2CCCC(=O)N12
InChIInChI=1S/C9H15NO/c1-7-5-6-8-3-2-4-9(11)10(7)8/h7-8H,2-6H2,1H3
InChIKeyBWECQHXBSYQZHY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.55
Rot. Bonds

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

3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 12820659) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID12820659
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC1CCC2CCCC(=O)N12
InChIInChI=1S/C9H15NO/c1-7-5-6-8-3-2-4-9(11)10(7)8/h7-8H,2-6H2,1H3
InChIKeyBWECQHXBSYQZHY-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of 3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 12820659) is 3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for 3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for 3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is CC1CCC2CCCC(=O)N12.
What is the InChIKey of 3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is BWECQHXBSYQZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-5-6-8-3-2-4-9(11)10(7)8/h7-8H,2-6H2,1H3.
What are the key properties of 3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 153.22 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 12820659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).