2-carbamoyl-1H-indole-6-carboxylic acid

C10H8N2O3 — CID 70896199

IUPAC2-carbamoyl-1H-indole-6-carboxylic acid
SMILESNC(=O)c1cc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C10H8N2O3/c11-9(13)8-3-5-1-2-6(10(14)15)4-7(5)12-8/h1-4,12H,(H2,11,13)(H,14,15)
InChIKeyRYQMXMNELNKHIJ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.96
Rot. Bonds2

About 2-carbamoyl-1H-indole-6-carboxylic acid

2-carbamoyl-1H-indole-6-carboxylic acid (PubChem CID 70896199) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-carbamoyl-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-1H-indole-6-carboxylic acid
PubChem CID70896199
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-carbamoyl-1H-indole-6-carboxylic acid
SMILESNC(=O)c1cc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C10H8N2O3/c11-9(13)8-3-5-1-2-6(10(14)15)4-7(5)12-8/h1-4,12H,(H2,11,13)(H,14,15)
InChIKeyRYQMXMNELNKHIJ-UHFFFAOYSA-N
XLogP0.96
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-1H-quinoline-3,7-dicarboxylic acid
CID 6501546
2-bromo-1H-indole-6-carboxamide
CID 174840846
2-prop-1-en-2-yl-1H-indole-5-carboxylic acid
CID 166785010
2-phenyl-1H-indole-6-carboxamide
CID 69443786
6-tert-butyl-1H-indole-2-carboxylic acid
CID 5172468
3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
CID 59474824
5-phenoxy-1H-indole-2-carboxamide
CID 58720348
3H-benzo[e]indole-2-carboxamide
CID 69052139
6-sulfamoyl-1H-indole-2-carboxylic acid
CID 66925507
2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid
CID 154121546
5-(2-aminoacetyl)-1H-indole-2-carboxylic acid
CID 170861029
CID 67200510
CID 67200510

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-1H-indole-6-carboxylic acid?
The IUPAC name of 2-carbamoyl-1H-indole-6-carboxylic acid (CID 70896199) is 2-carbamoyl-1H-indole-6-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-1H-indole-6-carboxylic acid?
The canonical SMILES for 2-carbamoyl-1H-indole-6-carboxylic acid is NC(=O)c1cc2ccc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-carbamoyl-1H-indole-6-carboxylic acid?
The InChIKey is RYQMXMNELNKHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-9(13)8-3-5-1-2-6(10(14)15)4-7(5)12-8/h1-4,12H,(H2,11,13)(H,14,15).
What are the key properties of 2-carbamoyl-1H-indole-6-carboxylic acid?
2-carbamoyl-1H-indole-6-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-1H-indole-6-carboxylic acid is sourced from PubChem (CID 70896199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).