(2,3,5-trihydroxyindolizin-1-yl) acetate

C10H9NO5 — CID 154201352

IUPAC(2,3,5-trihydroxyindolizin-1-yl) acetate
SMILESCC(=O)Oc1c(O)c(O)n2c(O)cccc12
InChIInChI=1S/C10H9NO5/c1-5(12)16-9-6-3-2-4-7(13)11(6)10(15)8(9)14/h2-4,13-15H,1H3
InChIKeyWGLFTMKFUFUNCG-UHFFFAOYSA-N
MW223.18 g/mol
LogP0.98
Rot. Bonds1

About (2,3,5-trihydroxyindolizin-1-yl) acetate

(2,3,5-trihydroxyindolizin-1-yl) acetate (PubChem CID 154201352) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is (2,3,5-trihydroxyindolizin-1-yl) acetate.

Molecular Properties

Compound Name(2,3,5-trihydroxyindolizin-1-yl) acetate
PubChem CID154201352
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name(2,3,5-trihydroxyindolizin-1-yl) acetate
SMILESCC(=O)Oc1c(O)c(O)n2c(O)cccc12
InChIInChI=1S/C10H9NO5/c1-5(12)16-9-6-3-2-4-7(13)11(6)10(15)8(9)14/h2-4,13-15H,1H3
InChIKeyWGLFTMKFUFUNCG-UHFFFAOYSA-N
XLogP0.98
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,3,5-trihydroxyindolizin-1-yl) acetate?
The IUPAC name of (2,3,5-trihydroxyindolizin-1-yl) acetate (CID 154201352) is (2,3,5-trihydroxyindolizin-1-yl) acetate.
What is the SMILES notation for (2,3,5-trihydroxyindolizin-1-yl) acetate?
The canonical SMILES for (2,3,5-trihydroxyindolizin-1-yl) acetate is CC(=O)Oc1c(O)c(O)n2c(O)cccc12.
What is the InChIKey of (2,3,5-trihydroxyindolizin-1-yl) acetate?
The InChIKey is WGLFTMKFUFUNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c1-5(12)16-9-6-3-2-4-7(13)11(6)10(15)8(9)14/h2-4,13-15H,1H3.
What are the key properties of (2,3,5-trihydroxyindolizin-1-yl) acetate?
(2,3,5-trihydroxyindolizin-1-yl) acetate has a molecular weight of 223.18 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5-trihydroxyindolizin-1-yl) acetate is sourced from PubChem (CID 154201352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).