(1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C10H17NO5 — CID 163826614

IUPAC(1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CC[C@@H](O)C2[C@H](O)[C@H](O)[C@H](CCO)N12
InChIInChI=1S/C10H17NO5/c12-4-3-5-9(15)10(16)8-6(13)1-2-7(14)11(5)8/h5-6,8-10,12-13,15-16H,1-4H2/t5-,6+,8?,9+,10-/m0/s1
InChIKeyOAAKGUNRXRGYBW-UQYSORRISA-N
MW231.25 g/mol
LogP-2.18
Rot. Bonds2

About (1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

(1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 163826614) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID163826614
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CC[C@@H](O)C2[C@H](O)[C@H](O)[C@H](CCO)N12
InChIInChI=1S/C10H17NO5/c12-4-3-5-9(15)10(16)8-6(13)1-2-7(14)11(5)8/h5-6,8-10,12-13,15-16H,1-4H2/t5-,6+,8?,9+,10-/m0/s1
InChIKeyOAAKGUNRXRGYBW-UQYSORRISA-N
XLogP-2.18
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one with MolForge

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Launch Full Analysis

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,2r,8s,8Ar)-1,2,8-trihydroxy-5-oxo octahydroindolizine
CID 13589443
(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,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
(6S,7S,8S,8aS)-6,7,8-trihydroxy-8a-methoxy-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 10584860
(1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11355741
(1R,6S,7R,8R,8aR)-1,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 101722684
(1S,2R,8R,8aR)-7-ethoxy-1,2,8-trihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 22857242

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 163826614) is (1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is O=C1CC[C@@H](O)C2[C@H](O)[C@H](O)[C@H](CCO)N12.
What is the InChIKey of (1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is OAAKGUNRXRGYBW-UQYSORRISA-N. The full InChI is InChI=1S/C10H17NO5/c12-4-3-5-9(15)10(16)8-6(13)1-2-7(14)11(5)8/h5-6,8-10,12-13,15-16H,1-4H2/t5-,6+,8?,9+,10-/m0/s1.
What are the key properties of (1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 231.25 g/mol, XLogP of -2.18, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,8R)-1,2,8-trihydroxy-3-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 163826614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).