(5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol

C10H15NO2 — CID 156582313

IUPAC(5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol
SMILESCc1ccc2n1[C@H](C)[C@@H](O)[C@@H](O)C2
InChIInChI=1S/C10H15NO2/c1-6-3-4-8-5-9(12)10(13)7(2)11(6)8/h3-4,7,9-10,12-13H,5H2,1-2H3/t7-,9+,10-/m1/s1
InChIKeyCGPPZIICNTZQIN-FKTZTGRPSA-N
MW181.23 g/mol
LogP0.64
Rot. Bonds

About (5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol

(5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol (PubChem CID 156582313) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol.

Molecular Properties

Compound Name(5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol
PubChem CID156582313
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol
SMILESCc1ccc2n1[C@H](C)[C@@H](O)[C@@H](O)C2
InChIInChI=1S/C10H15NO2/c1-6-3-4-8-5-9(12)10(13)7(2)11(6)8/h3-4,7,9-10,12-13H,5H2,1-2H3/t7-,9+,10-/m1/s1
InChIKeyCGPPZIICNTZQIN-FKTZTGRPSA-N
XLogP0.64
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol with MolForge

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Related Compounds

5,6,7,8-Tetrahydroindolizin-7-ol
CID 13741376
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizin-3-yl)-methanol
CID 44329283
((R)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizin-3-yl)-methanol
CID 44329299
Bipolamine A
CID 156582309
3-Methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol
CID 68074527
3-Propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-6,7-diol
CID 70826426
(1R)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol
CID 126622403
1-[(4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol
CID 126622481
(1S)-1-[(2R,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol
CID 126622505
4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid
CID 126622545
4-fluoro-2-[(1S)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid
CID 126622691
(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-(6-methyl-2-pyridinyl)ethanol
CID 126622813

Frequently Asked Questions

What is the IUPAC name of (5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol?
The IUPAC name of (5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol (CID 156582313) is (5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol.
What is the SMILES notation for (5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol?
The canonical SMILES for (5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol is Cc1ccc2n1[C@H](C)[C@@H](O)[C@@H](O)C2.
What is the InChIKey of (5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol?
The InChIKey is CGPPZIICNTZQIN-FKTZTGRPSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-3-4-8-5-9(12)10(13)7(2)11(6)8/h3-4,7,9-10,12-13H,5H2,1-2H3/t7-,9+,10-/m1/s1.
What are the key properties of (5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol?
(5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol has a molecular weight of 181.23 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7S)-3,5-dimethyl-5,6,7,8-tetrahydroindolizine-6,7-diol is sourced from PubChem (CID 156582313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).