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

C8H13NO2 — CID 10702043

IUPAC(1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1C[C@H](O)[C@@H]2CCCCN12
InChIInChI=1S/C8H13NO2/c10-7-5-8(11)9-4-2-1-3-6(7)9/h6-7,10H,1-5H2/t6-,7-/m0/s1
InChIKeyGZEVRJJSTVNDLW-BQBZGAKWSA-N
MW155.20 g/mol
LogP0.13
Rot. Bonds

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

(1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 10702043) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID10702043
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1C[C@H](O)[C@@H]2CCCCN12
InChIInChI=1S/C8H13NO2/c10-7-5-8(11)9-4-2-1-3-6(7)9/h6-7,10H,1-5H2/t6-,7-/m0/s1
InChIKeyGZEVRJJSTVNDLW-BQBZGAKWSA-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
8-Hydroxy-5-indolizidinone
CID 72969522
(8r,8Ar)-8-hydroxy-5-indolizidinone
CID 15308054
(1S,8aR)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 102088326
(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
(8aS)-1-hydroxy-6-methylidene-1,2,5,7,8,8a-hexahydroindolizin-3-one
CID 131864420
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
1,1,2-Trihydroxy-2,3,6,7,8,8a-hexahydroindolizin-5-one
CID 67340893

Frequently Asked Questions

What is the IUPAC name of (1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 10702043) is (1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is O=C1C[C@H](O)[C@@H]2CCCCN12.
What is the InChIKey of (1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is GZEVRJJSTVNDLW-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H13NO2/c10-7-5-8(11)9-4-2-1-3-6(7)9/h6-7,10H,1-5H2/t6-,7-/m0/s1.
What are the key properties of (1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(1S,8aS)-1-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 (1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 10702043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).