1H-benzo[g]indole-3-carboxylic acid

C13H9NO2 — CID 12505804

IUPAC1H-benzo[g]indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c1ccc1ccccc12
InChIInChI=1S/C13H9NO2/c15-13(16)11-7-14-12-9-4-2-1-3-8(9)5-6-10(11)12/h1-7,14H,(H,15,16)
InChIKeyPWKSXJWFZTYXJC-UHFFFAOYSA-N
MW211.22 g/mol
LogP3.02
Rot. Bonds1

About 1H-benzo[g]indole-3-carboxylic acid

1H-benzo[g]indole-3-carboxylic acid (PubChem CID 12505804) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1H-benzo[g]indole-3-carboxylic acid.

Molecular Properties

Compound Name1H-benzo[g]indole-3-carboxylic acid
PubChem CID12505804
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name1H-benzo[g]indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c1ccc1ccccc12
InChIInChI=1S/C13H9NO2/c15-13(16)11-7-14-12-9-4-2-1-3-8(9)5-6-10(11)12/h1-7,14H,(H,15,16)
InChIKeyPWKSXJWFZTYXJC-UHFFFAOYSA-N
XLogP3.02
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-benzo[g]indole-3-carboxylic acid?
The IUPAC name of 1H-benzo[g]indole-3-carboxylic acid (CID 12505804) is 1H-benzo[g]indole-3-carboxylic acid.
What is the SMILES notation for 1H-benzo[g]indole-3-carboxylic acid?
The canonical SMILES for 1H-benzo[g]indole-3-carboxylic acid is O=C(O)c1c[nH]c2c1ccc1ccccc12.
What is the InChIKey of 1H-benzo[g]indole-3-carboxylic acid?
The InChIKey is PWKSXJWFZTYXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-13(16)11-7-14-12-9-4-2-1-3-8(9)5-6-10(11)12/h1-7,14H,(H,15,16).
What are the key properties of 1H-benzo[g]indole-3-carboxylic acid?
1H-benzo[g]indole-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[g]indole-3-carboxylic acid is sourced from PubChem (CID 12505804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).