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

C8H13NO2 — CID 14492006

IUPAC1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CCCC2C(O)CCN12
InChIInChI=1S/C8H13NO2/c10-7-4-5-9-6(7)2-1-3-8(9)11/h6-7,10H,1-5H2
InChIKeyXRYAYLHHUPIJMQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.13
Rot. Bonds

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

1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 14492006) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID14492006
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CCCC2C(O)CCN12
InChIInChI=1S/C8H13NO2/c10-7-4-5-9-6(7)2-1-3-8(9)11/h6-7,10H,1-5H2
InChIKeyXRYAYLHHUPIJMQ-UHFFFAOYSA-N
XLogP0.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of 1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 14492006) is 1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for 1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for 1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is O=C1CCCC2C(O)CCN12.
What is the InChIKey of 1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is XRYAYLHHUPIJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-7-4-5-9-6(7)2-1-3-8(9)11/h6-7,10H,1-5H2.
What are the key properties of 1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 14492006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).