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

C15H15NO2 — CID 10105747

IUPACethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(c1C)Cc1ccccc1-2
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)13-9(2)12-8-10-6-4-5-7-11(10)14(12)16-13/h4-7,16H,3,8H2,1-2H3
InChIKeyDXUFJXHOKCOYHO-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.07
Rot. Bonds2

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

ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate (PubChem CID 10105747) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate
PubChem CID10105747
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(c1C)Cc1ccccc1-2
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)13-9(2)12-8-10-6-4-5-7-11(10)14(12)16-13/h4-7,16H,3,8H2,1-2H3
InChIKeyDXUFJXHOKCOYHO-UHFFFAOYSA-N
XLogP3.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate
CID 69442216
tert-butyl 3-methyl-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166661292
ethyl 4-(2-methoxycarbonylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 101193887
ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate
CID 10848653
ethyl 3,5-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxylate
CID 59807541
diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate
CID 132573936
(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)thallium
CID 10951554
ethyl 3,5-dimethyl-4-(3-phenylpropanoyl)-1H-pyrrole-2-carboxylate
CID 590700
5,10-dihydroindeno[1,2-b]indole;ethane
CID 143208166
ethyl 3,4-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaene-5-carboxylate
CID 164806552
ethyl 4-benzoyl-3,5-diphenyl-1H-pyrrole-2-carboxylate
CID 146163429
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate (CID 10105747) is ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate is CCOC(=O)c1[nH]c2c(c1C)Cc1ccccc1-2.
What is the InChIKey of ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate?
The InChIKey is DXUFJXHOKCOYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-18-15(17)13-9(2)12-8-10-6-4-5-7-11(10)14(12)16-13/h4-7,16H,3,8H2,1-2H3.
What are the key properties of ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate?
ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate is sourced from PubChem (CID 10105747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).