2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid

C13H13NO2 — CID 67289450

IUPAC2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1cc(C2CC2C(=O)O)c2ccccc21
InChIInChI=1S/C13H13NO2/c1-14-7-11(9-6-10(9)13(15)16)8-4-2-3-5-12(8)14/h2-5,7,9-10H,6H2,1H3,(H,15,16)
InChIKeyYTWUHEMWIJFPOA-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.37
Rot. Bonds2

About 2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid

2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 67289450) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID67289450
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1cc(C2CC2C(=O)O)c2ccccc21
InChIInChI=1S/C13H13NO2/c1-14-7-11(9-6-10(9)13(15)16)8-4-2-3-5-12(8)14/h2-5,7,9-10H,6H2,1H3,(H,15,16)
InChIKeyYTWUHEMWIJFPOA-UHFFFAOYSA-N
XLogP2.37
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid (CID 67289450) is 2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid is Cn1cc(C2CC2C(=O)O)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is YTWUHEMWIJFPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-14-7-11(9-6-10(9)13(15)16)8-4-2-3-5-12(8)14/h2-5,7,9-10H,6H2,1H3,(H,15,16).
What are the key properties of 2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid?
2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67289450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).