6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid

C10H8N2O2 — CID 130001280

IUPAC6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESN#Cc1ccc2c(c1)NC(C(=O)O)C2
InChIInChI=1S/C10H8N2O2/c11-5-6-1-2-7-4-9(10(13)14)12-8(7)3-6/h1-3,9,12H,4H2,(H,13,14)
InChIKeyPDMXWYYWQRSYBU-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.98
Rot. Bonds1

About 6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid

6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 130001280) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID130001280
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESN#Cc1ccc2c(c1)NC(C(=O)O)C2
InChIInChI=1S/C10H8N2O2/c11-5-6-1-2-7-4-9(10(13)14)12-8(7)3-6/h1-3,9,12H,4H2,(H,13,14)
InChIKeyPDMXWYYWQRSYBU-UHFFFAOYSA-N
XLogP0.98
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid (CID 130001280) is 6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid is N#Cc1ccc2c(c1)NC(C(=O)O)C2.
What is the InChIKey of 6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is PDMXWYYWQRSYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-5-6-1-2-7-4-9(10(13)14)12-8(7)3-6/h1-3,9,12H,4H2,(H,13,14).
What are the key properties of 6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid?
6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 130001280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).