(7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C8H13NO2 — CID 170938995

IUPAC(7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CC[C@@H]2C[C@@H](O)CCN12
InChIInChI=1S/C8H13NO2/c10-7-3-4-9-6(5-7)1-2-8(9)11/h6-7,10H,1-5H2/t6-,7+/m1/s1
InChIKeySTJZDQPLOKWGDM-RQJHMYQMSA-N
MW155.20 g/mol
LogP0.13
Rot. Bonds

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

(7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 170938995) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID170938995
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CC[C@@H]2C[C@@H](O)CCN12
InChIInChI=1S/C8H13NO2/c10-7-3-4-9-6(5-7)1-2-8(9)11/h6-7,10H,1-5H2/t6-,7+/m1/s1
InChIKeySTJZDQPLOKWGDM-RQJHMYQMSA-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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Related Compounds

(1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10702043
(8S,8aS)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10749651
(8R,8aS)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10773453
(1S,8aR)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 102088326
(8S,8aR)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131042209
(1R,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10964740
(1S,2S,8aS)-1,2-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11041160
(1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11355741
(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl) formate
CID 12395863
7-hydroxyhexahydroindolizin-3(2H)-one
CID 12395867
1-hydroxyhexahydroindolizin-3(2H)-one
CID 14036619
1-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 14492006

Frequently Asked Questions

What is the IUPAC name of (7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 170938995) is (7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is O=C1CC[C@@H]2C[C@@H](O)CCN12.
What is the InChIKey of (7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is STJZDQPLOKWGDM-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13NO2/c10-7-3-4-9-6(5-7)1-2-8(9)11/h6-7,10H,1-5H2/t6-,7+/m1/s1.
What are the key properties of (7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-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 (7S,8aR)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 170938995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).