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

C8H13NO2 — CID 10953750

IUPAC(8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CC[C@@H]2[C@@H](O)CCCN12
InChIInChI=1S/C8H13NO2/c10-7-2-1-5-9-6(7)3-4-8(9)11/h6-7,10H,1-5H2/t6-,7+/m1/s1
InChIKeyKTABOEKIAVLJNW-RQJHMYQMSA-N
MW155.20 g/mol
LogP0.13
Rot. Bonds

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

(8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 10953750) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID10953750
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CC[C@@H]2[C@@H](O)CCCN12
InChIInChI=1S/C8H13NO2/c10-7-2-1-5-9-6(7)3-4-8(9)11/h6-7,10H,1-5H2/t6-,7+/m1/s1
InChIKeyKTABOEKIAVLJNW-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

5(1H)-Indolizinone, hexahydro-8-hydroxy-, (8R,8aS)-(9CI)
CID 11051886
(1S,6S,7R,8R,8aR)-1,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11435629
8-Hydroxy-5-indolizidinone
CID 72969522
(1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10702043
(8r,8Ar)-8-hydroxy-5-indolizidinone
CID 15308054
(6S,7S,8S,8aR)-6,7,8-trihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 57385439
(1S,8aR)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 102088326
(6S,7S,8S,8aS)-6-ethyl-7,8-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131003933
(1S,8R)-1,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 134939123
(3R,8S,8aS)-3-ethyl-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 134969996
(1R,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10964740
(1R,6S,7R,8R,8aR)-1,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 101722684

Frequently Asked Questions

What is the IUPAC name of (8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 10953750) is (8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is O=C1CC[C@@H]2[C@@H](O)CCCN12.
What is the InChIKey of (8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is KTABOEKIAVLJNW-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13NO2/c10-7-2-1-5-9-6(7)3-4-8(9)11/h6-7,10H,1-5H2/t6-,7+/m1/s1.
What are the key properties of (8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(8S,8aR)-8-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 (8S,8aR)-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 10953750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).