3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid

C23H21NO4 — CID 21225024

IUPAC3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid
SMILESCOC(=O)C1=C(c2c(-c3ccccc3)n(C)c3cc(C(=O)O)ccc23)CCC1
InChIInChI=1S/C23H21NO4/c1-24-19-13-15(22(25)26)11-12-18(19)20(21(24)14-7-4-3-5-8-14)16-9-6-10-17(16)23(27)28-2/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,25,26)
InChIKeyURNWYMOLSJWZKB-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.65
Rot. Bonds4

About 3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid

3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid (PubChem CID 21225024) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid
PubChem CID21225024
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid
SMILESCOC(=O)C1=C(c2c(-c3ccccc3)n(C)c3cc(C(=O)O)ccc23)CCC1
InChIInChI=1S/C23H21NO4/c1-24-19-13-15(22(25)26)11-12-18(19)20(21(24)14-7-4-3-5-8-14)16-9-6-10-17(16)23(27)28-2/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,25,26)
InChIKeyURNWYMOLSJWZKB-UHFFFAOYSA-N
XLogP4.65
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-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 3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid?
The IUPAC name of 3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid (CID 21225024) is 3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid.
What is the SMILES notation for 3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid?
The canonical SMILES for 3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid is COC(=O)C1=C(c2c(-c3ccccc3)n(C)c3cc(C(=O)O)ccc23)CCC1.
What is the InChIKey of 3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid?
The InChIKey is URNWYMOLSJWZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-24-19-13-15(22(25)26)11-12-18(19)20(21(24)14-7-4-3-5-8-14)16-9-6-10-17(16)23(27)28-2/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,25,26).
What are the key properties of 3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid?
3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid has a molecular weight of 375.42 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid is sourced from PubChem (CID 21225024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).