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

C9H15NO — CID 78385872

IUPAC7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC1CC(=O)N2CCCC2C1
InChIInChI=1S/C9H15NO/c1-7-5-8-3-2-4-10(8)9(11)6-7/h7-8H,2-6H2,1H3
InChIKeyZJAVHOBNHVGTMH-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.41
Rot. Bonds

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

7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 78385872) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID78385872
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC1CC(=O)N2CCCC2C1
InChIInChI=1S/C9H15NO/c1-7-5-8-3-2-4-10(8)9(11)6-7/h7-8H,2-6H2,1H3
InChIKeyZJAVHOBNHVGTMH-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 163909402
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79945145
(9aS)-8-tert-butyl-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-5-one
CID 135039748
7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 130152346
2-(3-methylcyclobutyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 113467515
(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
CID 86313694
(4-fluorophenyl) 5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylate
CID 69404920
2-(4-methylcyclohexyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944458
(8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
CID 18638938

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of 7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 78385872) is 7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for 7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for 7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is CC1CC(=O)N2CCCC2C1.
What is the InChIKey of 7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is ZJAVHOBNHVGTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-5-8-3-2-4-10(8)9(11)6-7/h7-8H,2-6H2,1H3.
What are the key properties of 7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 153.22 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 78385872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).