(1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one

C11H17NO4 — CID 59125277

IUPAC(1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one
SMILESO=C1CCC2(CN3CCC[C@@H](O)[C@@H]3[C@@H]2O)O1
InChIInChI=1S/C11H17NO4/c13-7-2-1-5-12-6-11(10(15)9(7)12)4-3-8(14)16-11/h7,9-10,13,15H,1-6H2/t7-,9-,10+,11?/m1/s1
InChIKeyBFIRZMCCNAEEKM-ZCZLBPHLSA-N
MW227.26 g/mol
LogP-0.74
Rot. Bonds

About (1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one

(1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one (PubChem CID 59125277) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one.

Molecular Properties

Compound Name(1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one
PubChem CID59125277
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one
SMILESO=C1CCC2(CN3CCC[C@@H](O)[C@@H]3[C@@H]2O)O1
InChIInChI=1S/C11H17NO4/c13-7-2-1-5-12-6-11(10(15)9(7)12)4-3-8(14)16-11/h7,9-10,13,15H,1-6H2/t7-,9-,10+,11?/m1/s1
InChIKeyBFIRZMCCNAEEKM-ZCZLBPHLSA-N
XLogP-0.74
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one with MolForge

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Related Compounds

ethyl 2-[(1R,3R,8aR)-1-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]-2-hydroxybutanoate
CID 134940617
(1S,6S,7R,8R,8aR)-6,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 44193387
(1R,2S,3R,8S,8aS)-1,2-dihydroxy-3-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 44193474
6,7,8-Trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 58111746
(6S,7R,8R,8aR)-6,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 58111754
1,2-Dihydroxy-3-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 58111757
(3aR,4R,5S,5aS,7S,9aS)-4,5,7-trihydroxy-3a,4,5,5a,6,7,8,9a-octahydro-1H-furo[3,2-e]indolizin-2-one
CID 11075185
methyl (1S,2S,7R,8R,8aS)-7-hydroxy-1,2-bis[(2-methylpropan-2-yl)oxy]-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate
CID 11348479
[(1S,6S,7R,8R,8aR)-1,6,7-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] 2-ethylbutanoate
CID 11637814
[(1S,6S,7S,8R,8aR)-6,8-diacetyloxy-7-hydroxy-7-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-1-yl] acetate
CID 21579520
(8aR)-6,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 44193471
(8aS)-1,2-dihydroxy-3-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 44193475

Frequently Asked Questions

What is the IUPAC name of (1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one?
The IUPAC name of (1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one (CID 59125277) is (1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one.
What is the SMILES notation for (1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one?
The canonical SMILES for (1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one is O=C1CCC2(CN3CCC[C@@H](O)[C@@H]3[C@@H]2O)O1.
What is the InChIKey of (1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one?
The InChIKey is BFIRZMCCNAEEKM-ZCZLBPHLSA-N. The full InChI is InChI=1S/C11H17NO4/c13-7-2-1-5-12-6-11(10(15)9(7)12)4-3-8(14)16-11/h7,9-10,13,15H,1-6H2/t7-,9-,10+,11?/m1/s1.
What are the key properties of (1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one?
(1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one has a molecular weight of 227.26 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R,8aR)-1,8-dihydroxyspiro[3,5,6,7,8,8a-hexahydro-1H-indolizine-2,5'-oxolane]-2'-one is sourced from PubChem (CID 59125277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).