8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid

C11H9NO4 — CID 69220907

IUPAC8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid
SMILESO=C(O)C1Cc2ccc3c(c2N1)OC=CO3
InChIInChI=1S/C11H9NO4/c13-11(14)7-5-6-1-2-8-10(9(6)12-7)16-4-3-15-8/h1-4,7,12H,5H2,(H,13,14)
InChIKeyJMLFJVOYSHNVHO-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.35
Rot. Bonds1

About 8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid

8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid (PubChem CID 69220907) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid.

Molecular Properties

Compound Name8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid
PubChem CID69220907
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid
SMILESO=C(O)C1Cc2ccc3c(c2N1)OC=CO3
InChIInChI=1S/C11H9NO4/c13-11(14)7-5-6-1-2-8-10(9(6)12-7)16-4-3-15-8/h1-4,7,12H,5H2,(H,13,14)
InChIKeyJMLFJVOYSHNVHO-UHFFFAOYSA-N
XLogP1.35
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid?
The IUPAC name of 8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid (CID 69220907) is 8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid.
What is the SMILES notation for 8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid?
The canonical SMILES for 8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid is O=C(O)C1Cc2ccc3c(c2N1)OC=CO3.
What is the InChIKey of 8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid?
The InChIKey is JMLFJVOYSHNVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-11(14)7-5-6-1-2-8-10(9(6)12-7)16-4-3-15-8/h1-4,7,12H,5H2,(H,13,14).
What are the key properties of 8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid?
8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-7H-[1,4]dioxino[2,3-g]indole-8-carboxylic acid is sourced from PubChem (CID 69220907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).