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

C8H13NO — CID 6429122

IUPAC2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CCC2CCCCN12
InChIInChI=1S/C8H13NO/c10-8-5-4-7-3-1-2-6-9(7)8/h7H,1-6H2
InChIKeyIZKATSCDUREBRD-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.16
Rot. Bonds

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

2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 6429122) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID6429122
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CCC2CCCCN12
InChIInChI=1S/C8H13NO/c10-8-5-4-7-3-1-2-6-9(7)8/h7H,1-6H2
InChIKeyIZKATSCDUREBRD-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of 2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 6429122) is 2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for 2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for 2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is O=C1CCC2CCCCN12.
What is the InChIKey of 2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is IZKATSCDUREBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-8-5-4-7-3-1-2-6-9(7)8/h7H,1-6H2.
What are the key properties of 2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 139.20 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 6429122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).