3H-isoindole-2,3a-dicarboxylic acid

Name: 3H-isoindole-2,3a-dicarboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₉NO₄ — CID 152711168

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3H-isoindole-2,3a-dicarboxylic acid

SMILESO=C(O)N1C=C2C=CC=CC2(C(=O)O)C1

InChIInChI=1S/C10H9NO4/c12-8(13)10-4-2-1-3-7(10)5-11(6-10)9(14)15/h1-5H,6H2,(H,12,13)(H,14,15)

InChIKeyZTPXSFLESKDOLP-UHFFFAOYSA-N

MW207.19 g/mol

LogP1.06

Rot. Bonds1

About 3H-isoindole-2,3a-dicarboxylic acid

3H-isoindole-2,3a-dicarboxylic acid (PubChem CID 152711168) has the molecular formula C₁₀H₉NO₄ and a molecular weight of 207.19 g/mol. Its IUPAC name is 3H-isoindole-2,3a-dicarboxylic acid.

Molecular Properties

Compound Name	3H-isoindole-2,3a-dicarboxylic acid
PubChem CID	152711168
Molecular Formula	C₁₀H₉NO₄
Molecular Weight	207.19 g/mol
Exact Mass	207.05
IUPAC Name	3H-isoindole-2,3a-dicarboxylic acid
SMILES	O=C(O)N1C=C2C=CC=CC2(C(=O)O)C1
InChI	InChI=1S/C10H9NO4/c12-8(13)10-4-2-1-3-7(10)5-11(6-10)9(14)15/h1-5H,6H2,(H,12,13)(H,14,15)
InChIKey	ZTPXSFLESKDOLP-UHFFFAOYSA-N
XLogP	1.06
TPSA	77.84 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.19
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3H-isoindole-2,3a-dicarboxylic acid?

The IUPAC name of 3H-isoindole-2,3a-dicarboxylic acid (CID 152711168) is 3H-isoindole-2,3a-dicarboxylic acid.

What is the SMILES notation for 3H-isoindole-2,3a-dicarboxylic acid?

The canonical SMILES for 3H-isoindole-2,3a-dicarboxylic acid is O=C(O)N1C=C2C=CC=CC2(C(=O)O)C1.

What is the InChIKey of 3H-isoindole-2,3a-dicarboxylic acid?

The InChIKey is ZTPXSFLESKDOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c12-8(13)10-4-2-1-3-7(10)5-11(6-10)9(14)15/h1-5H,6H2,(H,12,13)(H,14,15).

What are the key properties of 3H-isoindole-2,3a-dicarboxylic acid?

3H-isoindole-2,3a-dicarboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3H-isoindole-2,3a-dicarboxylic acid is sourced from PubChem (CID 152711168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 152711168 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.