2-(4-cyanoindol-1-yl)acetic acid

C11H8N2O2 — CID 28947083

IUPAC2-(4-cyanoindol-1-yl)acetic acid
SMILESN#Cc1cccc2c1ccn2CC(=O)O
InChIInChI=1S/C11H8N2O2/c12-6-8-2-1-3-10-9(8)4-5-13(10)7-11(14)15/h1-5H,7H2,(H,14,15)
InChIKeyICHFJSNDSWGZHT-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.60
Rot. Bonds2

About 2-(4-cyanoindol-1-yl)acetic acid

2-(4-cyanoindol-1-yl)acetic acid (PubChem CID 28947083) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-(4-cyanoindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyanoindol-1-yl)acetic acid
PubChem CID28947083
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name2-(4-cyanoindol-1-yl)acetic acid
SMILESN#Cc1cccc2c1ccn2CC(=O)O
InChIInChI=1S/C11H8N2O2/c12-6-8-2-1-3-10-9(8)4-5-13(10)7-11(14)15/h1-5H,7H2,(H,14,15)
InChIKeyICHFJSNDSWGZHT-UHFFFAOYSA-N
XLogP1.60
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoindol-1-yl)acetic acid?
The IUPAC name of 2-(4-cyanoindol-1-yl)acetic acid (CID 28947083) is 2-(4-cyanoindol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-cyanoindol-1-yl)acetic acid?
The canonical SMILES for 2-(4-cyanoindol-1-yl)acetic acid is N#Cc1cccc2c1ccn2CC(=O)O.
What is the InChIKey of 2-(4-cyanoindol-1-yl)acetic acid?
The InChIKey is ICHFJSNDSWGZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c12-6-8-2-1-3-10-9(8)4-5-13(10)7-11(14)15/h1-5H,7H2,(H,14,15).
What are the key properties of 2-(4-cyanoindol-1-yl)acetic acid?
2-(4-cyanoindol-1-yl)acetic acid has a molecular weight of 200.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoindol-1-yl)acetic acid is sourced from PubChem (CID 28947083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).