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

C9H17NO4 — CID 10655760

IUPAC(1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol
SMILESO[C@H]1[C@H](O)[C@H](O)CN2CCC[C@H](O)[C@@H]12
InChIInChI=1S/C9H17NO4/c11-5-2-1-3-10-4-6(12)8(13)9(14)7(5)10/h5-9,11-14H,1-4H2/t5-,6+,7-,8+,9+/m0/s1
InChIKeyQTBDZCJQYXPZJL-KVEIKIFDSA-N
MW203.24 g/mol
LogP-2.09
Rot. Bonds

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

(1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol (PubChem CID 10655760) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol.

Molecular Properties

Compound Name(1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol
PubChem CID10655760
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol
SMILESO[C@H]1[C@H](O)[C@H](O)CN2CCC[C@H](O)[C@@H]12
InChIInChI=1S/C9H17NO4/c11-5-2-1-3-10-4-6(12)8(13)9(14)7(5)10/h5-9,11-14H,1-4H2/t5-,6+,7-,8+,9+/m0/s1
InChIKeyQTBDZCJQYXPZJL-KVEIKIFDSA-N
XLogP-2.09
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol?
The IUPAC name of (1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol (CID 10655760) is (1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol.
What is the SMILES notation for (1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol?
The canonical SMILES for (1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol is O[C@H]1[C@H](O)[C@H](O)CN2CCC[C@H](O)[C@@H]12.
What is the InChIKey of (1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol?
The InChIKey is QTBDZCJQYXPZJL-KVEIKIFDSA-N. The full InChI is InChI=1S/C9H17NO4/c11-5-2-1-3-10-4-6(12)8(13)9(14)7(5)10/h5-9,11-14H,1-4H2/t5-,6+,7-,8+,9+/m0/s1.
What are the key properties of (1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol?
(1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol has a molecular weight of 203.24 g/mol, XLogP of -2.09, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,9S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3,9-tetrol is sourced from PubChem (CID 10655760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).