(1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol

C10H19NO3 — CID 45110036

IUPAC(1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol
SMILESC[C@H]1CCCC2[C@H](O)[C@@H](O)[C@H](O)CN21
InChIInChI=1S/C10H19NO3/c1-6-3-2-4-7-9(13)10(14)8(12)5-11(6)7/h6-10,12-14H,2-5H2,1H3/t6-,7?,8+,9-,10-/m0/s1
InChIKeyIRVDVKSWANWVOI-BXXOGBBQSA-N
MW201.27 g/mol
LogP-0.67
Rot. Bonds

About (1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol

(1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol (PubChem CID 45110036) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol.

Molecular Properties

Compound Name(1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol
PubChem CID45110036
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol
SMILESC[C@H]1CCCC2[C@H](O)[C@@H](O)[C@H](O)CN21
InChIInChI=1S/C10H19NO3/c1-6-3-2-4-7-9(13)10(14)8(12)5-11(6)7/h6-10,12-14H,2-5H2,1H3/t6-,7?,8+,9-,10-/m0/s1
InChIKeyIRVDVKSWANWVOI-BXXOGBBQSA-N
XLogP-0.67
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol?
The IUPAC name of (1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol (CID 45110036) is (1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol.
What is the SMILES notation for (1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol?
The canonical SMILES for (1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol is C[C@H]1CCCC2[C@H](O)[C@@H](O)[C@H](O)CN21.
What is the InChIKey of (1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol?
The InChIKey is IRVDVKSWANWVOI-BXXOGBBQSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-3-2-4-7-9(13)10(14)8(12)5-11(6)7/h6-10,12-14H,2-5H2,1H3/t6-,7?,8+,9-,10-/m0/s1.
What are the key properties of (1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol?
(1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol has a molecular weight of 201.27 g/mol, XLogP of -0.67, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,6S)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol is sourced from PubChem (CID 45110036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).