(3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one

C10H15NO3 — CID 130763795

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

About (3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one

(3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one (PubChem CID 130763795) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one.

Molecular Properties

Compound Name(3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
PubChem CID130763795
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
SMILESO=C1CC[C@H]2[C@@H](O)[C@@H]3CCO[C@@H]3CN12
InChIInChI=1S/C10H15NO3/c12-9-2-1-7-10(13)6-3-4-14-8(6)5-11(7)9/h6-8,10,13H,1-5H2/t6-,7+,8-,10+/m1/s1
InChIKeyVFROGUHVHBNUEH-JIOCBJNQSA-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 (3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one with MolForge

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Related Compounds

(3aR,8aS,9S,9aR)-9-Hydroxyperhydrofuro[3,2-f]indolizin-6-one
CID 90772066
(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
(3aS,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
CID 12127499
(3aR,4aS,9aS)-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
CID 11367373
(7S,8S,8aS)-7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 16043384
(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
7-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 73225542
4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one
CID 74343013
6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 86260733
(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 (3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one?
The IUPAC name of (3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one (CID 130763795) is (3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one.
What is the SMILES notation for (3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one?
The canonical SMILES for (3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one is O=C1CC[C@H]2[C@@H](O)[C@@H]3CCO[C@@H]3CN12.
What is the InChIKey of (3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one?
The InChIKey is VFROGUHVHBNUEH-JIOCBJNQSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9-2-1-7-10(13)6-3-4-14-8(6)5-11(7)9/h6-8,10,13H,1-5H2/t6-,7+,8-,10+/m1/s1.
What are the key properties of (3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one?
(3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-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 (3aS,4S,4aS,9aS)-4-hydroxy-3,3a,4,4a,5,6,9,9a-octahydro-2H-furo[2,3-f]indolizin-7-one is sourced from PubChem (CID 130763795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).