ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate

C14H13NO2 — CID 69442216

IUPACethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c1Cc1ccccc1-2
InChIInChI=1S/C14H13NO2/c1-2-17-14(16)12-8-15-13-10-6-4-3-5-9(10)7-11(12)13/h3-6,8,15H,2,7H2,1H3
InChIKeyBHVGNBUJOKPDLI-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.76
Rot. Bonds2

About ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate

ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate (PubChem CID 69442216) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate
PubChem CID69442216
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Nameethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c1Cc1ccccc1-2
InChIInChI=1S/C14H13NO2/c1-2-17-14(16)12-8-15-13-10-6-4-3-5-9(10)7-11(12)13/h3-6,8,15H,2,7H2,1H3
InChIKeyBHVGNBUJOKPDLI-UHFFFAOYSA-N
XLogP2.76
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate
CID 10105747
ethyl 4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylate
CID 68707167
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
ethyl 9H-xanthene-1-carboxylate
CID 53405461
ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate
CID 10848653
ethyl 2-[(E)-hydroxy-(3-oxo-1H-inden-2-ylidene)methyl]benzoate
CID 15415722
diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate
CID 132573936
ethyl 5-methyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
CID 18670784
ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-3-carboxylate
CID 131436081
benzyl 9H-fluorene-1-carboxylate
CID 148546959
cyclohexanol;diethyl benzene-1,2-dicarboxylate
CID 157482409
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate?
The IUPAC name of ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate (CID 69442216) is ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate is CCOC(=O)c1c[nH]c2c1Cc1ccccc1-2.
What is the InChIKey of ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate?
The InChIKey is BHVGNBUJOKPDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-17-14(16)12-8-15-13-10-6-4-3-5-9(10)7-11(12)13/h3-6,8,15H,2,7H2,1H3.
What are the key properties of ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate?
ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate is sourced from PubChem (CID 69442216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).