1-(2-chloroprop-2-enyl)indole-2-carboxylic acid

C12H10ClNO2 — CID 28600062

IUPAC1-(2-chloroprop-2-enyl)indole-2-carboxylic acid
SMILESC=C(Cl)Cn1c(C(=O)O)cc2ccccc21
InChIInChI=1S/C12H10ClNO2/c1-8(13)7-14-10-5-3-2-4-9(10)6-11(14)12(15)16/h2-6H,1,7H2,(H,15,16)
InChIKeyWKYFYRZOJFCVMC-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.09
Rot. Bonds3

About 1-(2-chloroprop-2-enyl)indole-2-carboxylic acid

1-(2-chloroprop-2-enyl)indole-2-carboxylic acid (PubChem CID 28600062) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)indole-2-carboxylic acid
PubChem CID28600062
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name1-(2-chloroprop-2-enyl)indole-2-carboxylic acid
SMILESC=C(Cl)Cn1c(C(=O)O)cc2ccccc21
InChIInChI=1S/C12H10ClNO2/c1-8(13)7-14-10-5-3-2-4-9(10)6-11(14)12(15)16/h2-6H,1,7H2,(H,15,16)
InChIKeyWKYFYRZOJFCVMC-UHFFFAOYSA-N
XLogP3.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloroprop-2-enyl)indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)indole-2-carboxylic acid?
The IUPAC name of 1-(2-chloroprop-2-enyl)indole-2-carboxylic acid (CID 28600062) is 1-(2-chloroprop-2-enyl)indole-2-carboxylic acid.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)indole-2-carboxylic acid?
The canonical SMILES for 1-(2-chloroprop-2-enyl)indole-2-carboxylic acid is C=C(Cl)Cn1c(C(=O)O)cc2ccccc21.
What is the InChIKey of 1-(2-chloroprop-2-enyl)indole-2-carboxylic acid?
The InChIKey is WKYFYRZOJFCVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-8(13)7-14-10-5-3-2-4-9(10)6-11(14)12(15)16/h2-6H,1,7H2,(H,15,16).
What are the key properties of 1-(2-chloroprop-2-enyl)indole-2-carboxylic acid?
1-(2-chloroprop-2-enyl)indole-2-carboxylic acid has a molecular weight of 235.67 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)indole-2-carboxylic acid is sourced from PubChem (CID 28600062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).