(3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one

C10H15NO3 — CID 90772066

IUPAC(3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one
SMILESO=C1CC[C@H]2[C@H](O)[C@@H]3OCC[C@@H]3CN12
InChIInChI=1S/C10H15NO3/c12-8-2-1-7-9(13)10-6(3-4-14-10)5-11(7)8/h6-7,9-10,13H,1-5H2/t6-,7+,9+,10-/m1/s1
InChIKeyXLDSIEAUGLXKQG-GOZTYBTRSA-N
MW197.23 g/mol
LogP-0.24
Rot. Bonds

About (3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one

(3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one (PubChem CID 90772066) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one.

Molecular Properties

Compound Name(3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one
PubChem CID90772066
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one
SMILESO=C1CC[C@H]2[C@H](O)[C@@H]3OCC[C@@H]3CN12
InChIInChI=1S/C10H15NO3/c12-8-2-1-7-9(13)10-6(3-4-14-10)5-11(7)8/h6-7,9-10,13H,1-5H2/t6-,7+,9+,10-/m1/s1
InChIKeyXLDSIEAUGLXKQG-GOZTYBTRSA-N
XLogP-0.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one with MolForge

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Related Compounds

(6R,7R,8R,8aR)-6,7,8-trihydroxy-8a-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 122191254
(6S,7R,8R,8aS)-6,7,8-trihydroxy-8a-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 122191256
(6S,7R,8R,8aR)-6,7,8-trihydroxy-8a-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 122191257
(3aR,4R,4aS,9aR)-4-Hydroxyperhydrofuro[2,3-f]indolizin-7(2H)-one
CID 101842437
(3aS,8aS,9R,9aS)-9-Hydroxy-2,3,3a,7,8,8a,9,9a-octahydrofuro[3,2-f]indolizin-6(4H)-one
CID 101842439
(6S,7S,8S,8aS)-6-ethyl-7,8-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131003933
(6S,7S,8S,8aS)-6-Ethyl-7,8-dihydroxy-1,5,6,7,8,8a-hexahydroindolizin-3(2H)-one monohydrate
CID 139080075
4-[Hydroxy(oxan-2-yl)methyl]-1-propan-2-ylpyrrolidin-2-one
CID 21331358
(3aR,4S,4aS,9aR)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
CID 24879841
4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
CID 74343013
(3aS,4R,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
CID 101842438
(3aS,8aS,9S,9aS)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one
CID 101842441

Frequently Asked Questions

What is the IUPAC name of (3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one?
The IUPAC name of (3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one (CID 90772066) is (3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one.
What is the SMILES notation for (3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one?
The canonical SMILES for (3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one is O=C1CC[C@H]2[C@H](O)[C@@H]3OCC[C@@H]3CN12.
What is the InChIKey of (3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one?
The InChIKey is XLDSIEAUGLXKQG-GOZTYBTRSA-N. The full InChI is InChI=1S/C10H15NO3/c12-8-2-1-7-9(13)10-6(3-4-14-10)5-11(7)8/h6-7,9-10,13H,1-5H2/t6-,7+,9+,10-/m1/s1.
What are the key properties of (3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one?
(3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one has a molecular weight of 197.23 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8aS,9S,9aR)-9-hydroxy-3,3a,4,7,8,8a,9,9a-octahydro-2H-furo[3,2-f]indolizin-6-one is sourced from PubChem (CID 90772066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).