(1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol

C12H15NO2 — CID 101469707

IUPAC(1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol
SMILESO[C@@H]1[C@H]2c3ccccc3CN2CC[C@@H]1O
InChIInChI=1S/C12H15NO2/c14-10-5-6-13-7-8-3-1-2-4-9(8)11(13)12(10)15/h1-4,10-12,14-15H,5-7H2/t10-,11+,12-/m0/s1
InChIKeyGIKCGBLRERBBGJ-TUAOUCFPSA-N
MW205.26 g/mol
LogP0.67
Rot. Bonds

About (1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol

(1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol (PubChem CID 101469707) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol.

Molecular Properties

Compound Name(1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol
PubChem CID101469707
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol
SMILESO[C@@H]1[C@H]2c3ccccc3CN2CC[C@@H]1O
InChIInChI=1S/C12H15NO2/c14-10-5-6-13-7-8-3-1-2-4-9(8)11(13)12(10)15/h1-4,10-12,14-15H,5-7H2/t10-,11+,12-/m0/s1
InChIKeyGIKCGBLRERBBGJ-TUAOUCFPSA-N
XLogP0.67
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol with MolForge

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Related Compounds

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(16S)-1-azahexacyclo[14.13.0.03,8.09,14.017,22.023,28]nonacosa-3,5,7,9,11,13,17,19,21,23,25,27-dodecaene
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol?
The IUPAC name of (1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol (CID 101469707) is (1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol.
What is the SMILES notation for (1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol?
The canonical SMILES for (1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol is O[C@@H]1[C@H]2c3ccccc3CN2CC[C@@H]1O.
What is the InChIKey of (1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol?
The InChIKey is GIKCGBLRERBBGJ-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H15NO2/c14-10-5-6-13-7-8-3-1-2-4-9(8)11(13)12(10)15/h1-4,10-12,14-15H,5-7H2/t10-,11+,12-/m0/s1.
What are the key properties of (1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol?
(1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol has a molecular weight of 205.26 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,10bR)-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindole-1,2-diol is sourced from PubChem (CID 101469707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).