ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate

C12H13NO2 — CID 59683332

IUPACethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate
SMILESC=CC1=CCc2cc(C(=O)OCC)[nH]c21
InChIInChI=1S/C12H13NO2/c1-3-8-5-6-9-7-10(13-11(8)9)12(14)15-4-2/h3,5,7,13H,1,4,6H2,2H3
InChIKeyTUMIWFWWIOEPGO-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.32
Rot. Bonds3

About ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate

ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate (PubChem CID 59683332) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate
PubChem CID59683332
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Nameethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate
SMILESC=CC1=CCc2cc(C(=O)OCC)[nH]c21
InChIInChI=1S/C12H13NO2/c1-3-8-5-6-9-7-10(13-11(8)9)12(14)15-4-2/h3,5,7,13H,1,4,6H2,2H3
InChIKeyTUMIWFWWIOEPGO-UHFFFAOYSA-N
XLogP2.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-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 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate
CID 66874062
ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
CID 66873834
ethyl 4,7-dioxo-1H-indole-2-carboxylate
CID 15357934
diethyl 5-(oxo(113C)methyl)-(4,5-13C2,115N)1H-pyrrole-2,4-dicarboxylate
CID 45379992
ethyl 6-methyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 164749425
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 4-chloro-5-methyl-1H-pyrrole-2-carboxylate
CID 66707189
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
diethyl 7-thia-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11558576
diethyl 5-ethyl-1H-pyrrole-2,4-dicarboxylate
CID 121015696
ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331
3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid
CID 44718680

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate (CID 59683332) is ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate is C=CC1=CCc2cc(C(=O)OCC)[nH]c21.
What is the InChIKey of ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is TUMIWFWWIOEPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-8-5-6-9-7-10(13-11(8)9)12(14)15-4-2/h3,5,7,13H,1,4,6H2,2H3.
What are the key properties of ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate?
ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 59683332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).