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

C11H13NO2 — CID 66874062

IUPACethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc2c([nH]1)C(C)=CC2
InChIInChI=1S/C11H13NO2/c1-3-14-11(13)9-6-8-5-4-7(2)10(8)12-9/h4,6,12H,3,5H2,1-2H3
InChIKeyUHRCUYPOFMOITI-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.15
Rot. Bonds2

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

ethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate (PubChem CID 66874062) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is ethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate
PubChem CID66874062
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc2c([nH]1)C(C)=CC2
InChIInChI=1S/C11H13NO2/c1-3-14-11(13)9-6-8-5-4-7(2)10(8)12-9/h4,6,12H,3,5H2,1-2H3
InChIKeyUHRCUYPOFMOITI-UHFFFAOYSA-N
XLogP2.15
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate
CID 59683332
ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
CID 66873834
ethyl 4,7-dioxo-1H-indole-2-carboxylate
CID 15357934
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
3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid
CID 44718680
diethyl 5-(oxo(113C)methyl)-(4,5-13C2,115N)1H-pyrrole-2,4-dicarboxylate
CID 45379992
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of ethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate (CID 66874062) is ethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate is CCOC(=O)c1cc2c([nH]1)C(C)=CC2.
What is the InChIKey of ethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is UHRCUYPOFMOITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-14-11(13)9-6-8-5-4-7(2)10(8)12-9/h4,6,12H,3,5H2,1-2H3.
What are the key properties of ethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate?
ethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 66874062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).