2-(5-cyano-1H-indol-2-yl)acetic acid

C11H8N2O2 — CID 131305080

IUPAC2-(5-cyano-1H-indol-2-yl)acetic acid
SMILESN#Cc1ccc2[nH]c(CC(=O)O)cc2c1
InChIInChI=1S/C11H8N2O2/c12-6-7-1-2-10-8(3-7)4-9(13-10)5-11(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyDYZGXFNISNFOFT-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.67
Rot. Bonds2

About 2-(5-cyano-1H-indol-2-yl)acetic acid

2-(5-cyano-1H-indol-2-yl)acetic acid (PubChem CID 131305080) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-(5-cyano-1H-indol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-cyano-1H-indol-2-yl)acetic acid
PubChem CID131305080
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name2-(5-cyano-1H-indol-2-yl)acetic acid
SMILESN#Cc1ccc2[nH]c(CC(=O)O)cc2c1
InChIInChI=1S/C11H8N2O2/c12-6-7-1-2-10-8(3-7)4-9(13-10)5-11(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyDYZGXFNISNFOFT-UHFFFAOYSA-N
XLogP1.67
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-1H-indol-2-yl)acetic acid?
The IUPAC name of 2-(5-cyano-1H-indol-2-yl)acetic acid (CID 131305080) is 2-(5-cyano-1H-indol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-cyano-1H-indol-2-yl)acetic acid?
The canonical SMILES for 2-(5-cyano-1H-indol-2-yl)acetic acid is N#Cc1ccc2[nH]c(CC(=O)O)cc2c1.
What is the InChIKey of 2-(5-cyano-1H-indol-2-yl)acetic acid?
The InChIKey is DYZGXFNISNFOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c12-6-7-1-2-10-8(3-7)4-9(13-10)5-11(14)15/h1-4,13H,5H2,(H,14,15).
What are the key properties of 2-(5-cyano-1H-indol-2-yl)acetic acid?
2-(5-cyano-1H-indol-2-yl)acetic acid has a molecular weight of 200.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-1H-indol-2-yl)acetic acid is sourced from PubChem (CID 131305080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).