indolizine-1,2,3-triol

C8H7NO3 — CID 141103866

IUPACindolizine-1,2,3-triol
SMILESOc1c(O)c2ccccn2c1O
InChIInChI=1S/C8H7NO3/c10-6-5-3-1-2-4-9(5)8(12)7(6)11/h1-4,10-12H
InChIKeyXWOMHOBTJQHMDS-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.06
Rot. Bonds

About indolizine-1,2,3-triol

indolizine-1,2,3-triol (PubChem CID 141103866) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is indolizine-1,2,3-triol.

Molecular Properties

Compound Nameindolizine-1,2,3-triol
PubChem CID141103866
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Nameindolizine-1,2,3-triol
SMILESOc1c(O)c2ccccn2c1O
InChIInChI=1S/C8H7NO3/c10-6-5-3-1-2-4-9(5)8(12)7(6)11/h1-4,10-12H
InChIKeyXWOMHOBTJQHMDS-UHFFFAOYSA-N
XLogP1.06
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of indolizine-1,2,3-triol?
The IUPAC name of indolizine-1,2,3-triol (CID 141103866) is indolizine-1,2,3-triol.
What is the SMILES notation for indolizine-1,2,3-triol?
The canonical SMILES for indolizine-1,2,3-triol is Oc1c(O)c2ccccn2c1O.
What is the InChIKey of indolizine-1,2,3-triol?
The InChIKey is XWOMHOBTJQHMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c10-6-5-3-1-2-4-9(5)8(12)7(6)11/h1-4,10-12H.
What are the key properties of indolizine-1,2,3-triol?
indolizine-1,2,3-triol has a molecular weight of 165.15 g/mol, XLogP of 1.06, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for indolizine-1,2,3-triol is sourced from PubChem (CID 141103866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).