methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate

C13H13NO2 — CID 14567363

IUPACmethyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate
SMILESCOC(=O)n1ccc2ccc3c(c21)CCC3
InChIInChI=1S/C13H13NO2/c1-16-13(15)14-8-7-10-6-5-9-3-2-4-11(9)12(10)14/h5-8H,2-4H2,1H3
InChIKeyQTYIVVSTNOHLSS-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.74
Rot. Bonds

About methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate

methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate (PubChem CID 14567363) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate.

Molecular Properties

Compound Namemethyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate
PubChem CID14567363
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Namemethyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate
SMILESCOC(=O)n1ccc2ccc3c(c21)CCC3
InChIInChI=1S/C13H13NO2/c1-16-13(15)14-8-7-10-6-5-9-3-2-4-11(9)12(10)14/h5-8H,2-4H2,1H3
InChIKeyQTYIVVSTNOHLSS-UHFFFAOYSA-N
XLogP2.74
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate 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 methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate?
The IUPAC name of methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate (CID 14567363) is methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate.
What is the SMILES notation for methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate?
The canonical SMILES for methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate is COC(=O)n1ccc2ccc3c(c21)CCC3.
What is the InChIKey of methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate?
The InChIKey is QTYIVVSTNOHLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-16-13(15)14-8-7-10-6-5-9-3-2-4-11(9)12(10)14/h5-8H,2-4H2,1H3.
What are the key properties of methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate?
methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7,8-dihydro-6H-cyclopenta[g]indole-1-carboxylate is sourced from PubChem (CID 14567363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).