ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate

C11H15NO2 — CID 66873834

IUPACethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc2c([nH]1)CC(C)C2
InChIInChI=1S/C11H15NO2/c1-3-14-11(13)10-6-8-4-7(2)5-9(8)12-10/h6-7,12H,3-5H2,1-2H3
InChIKeyLZICYONFTUMEIX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.93
Rot. Bonds2

About ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate

ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate (PubChem CID 66873834) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
PubChem CID66873834
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc2c([nH]1)CC(C)C2
InChIInChI=1S/C11H15NO2/c1-3-14-11(13)10-6-8-4-7(2)5-9(8)12-10/h6-7,12H,3-5H2,1-2H3
InChIKeyLZICYONFTUMEIX-UHFFFAOYSA-N
XLogP1.93
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 6-methyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 164749425
ethyl 6-methyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate
CID 66874062
ethyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 42582900
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
ethyl 6-ethenyl-1,4-dihydrocyclopenta[b]pyrrole-2-carboxylate
CID 59683332
ethyl 2,4-dimethyl-6-oxocyclohexene-1-carboxylate
CID 67159177
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 4,7-dioxo-1H-indole-2-carboxylate
CID 15357934
5-(ethylamino)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 70292848

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate (CID 66873834) is ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate is CCOC(=O)c1cc2c([nH]1)CC(C)C2.
What is the InChIKey of ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is LZICYONFTUMEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-14-11(13)10-6-8-4-7(2)5-9(8)12-10/h6-7,12H,3-5H2,1-2H3.
What are the key properties of ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate?
ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 66873834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).