2-(3-cyanoindol-1-yl)acetic acid

C11H8N2O2 — CID 652683

IUPAC2-(3-cyanoindol-1-yl)acetic acid
SMILESN#Cc1cn(CC(=O)O)c2ccccc12
InChIInChI=1S/C11H8N2O2/c12-5-8-6-13(7-11(14)15)10-4-2-1-3-9(8)10/h1-4,6H,7H2,(H,14,15)
InChIKeyABOATQKEOFCUPN-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.60
Rot. Bonds2

About 2-(3-cyanoindol-1-yl)acetic acid

2-(3-cyanoindol-1-yl)acetic acid (PubChem CID 652683) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-(3-cyanoindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyanoindol-1-yl)acetic acid
PubChem CID652683
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name2-(3-cyanoindol-1-yl)acetic acid
SMILESN#Cc1cn(CC(=O)O)c2ccccc12
InChIInChI=1S/C11H8N2O2/c12-5-8-6-13(7-11(14)15)10-4-2-1-3-9(8)10/h1-4,6H,7H2,(H,14,15)
InChIKeyABOATQKEOFCUPN-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-(3-cyanoindol-1-yl)acetic acid?
The IUPAC name of 2-(3-cyanoindol-1-yl)acetic acid (CID 652683) is 2-(3-cyanoindol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-cyanoindol-1-yl)acetic acid?
The canonical SMILES for 2-(3-cyanoindol-1-yl)acetic acid is N#Cc1cn(CC(=O)O)c2ccccc12.
What is the InChIKey of 2-(3-cyanoindol-1-yl)acetic acid?
The InChIKey is ABOATQKEOFCUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c12-5-8-6-13(7-11(14)15)10-4-2-1-3-9(8)10/h1-4,6H,7H2,(H,14,15).
What are the key properties of 2-(3-cyanoindol-1-yl)acetic acid?
2-(3-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-(3-cyanoindol-1-yl)acetic acid is sourced from PubChem (CID 652683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).