methyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate

C14H15NO2S — CID 10635159

IUPACmethyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate
SMILESCOC(=O)C1=C2C(=C(c3cccs3)C1)CCN2C
InChIInChI=1S/C14H15NO2S/c1-15-6-5-9-10(12-4-3-7-18-12)8-11(13(9)15)14(16)17-2/h3-4,7H,5-6,8H2,1-2H3
InChIKeyAEDFVESRXLSCER-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.67
Rot. Bonds2

About methyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate

methyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate (PubChem CID 10635159) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is methyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate
PubChem CID10635159
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Namemethyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate
SMILESCOC(=O)C1=C2C(=C(c3cccs3)C1)CCN2C
InChIInChI=1S/C14H15NO2S/c1-15-6-5-9-10(12-4-3-7-18-12)8-11(13(9)15)14(16)17-2/h3-4,7H,5-6,8H2,1-2H3
InChIKeyAEDFVESRXLSCER-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4E)-4-(4-methoxycarbonyl-1-methyl-2-oxo-5-thiophen-2-ylpyrrol-3-ylidene)-1-methyl-5-oxo-2-thiophen-2-ylpyrrole-3-carboxylate
CID 102496358
dimethyl 5-thiophen-2-ylbenzene-1,3-dicarboxylate
CID 5323903
dimethyl 3,4-dithiophen-2-yl-1H-pyrrole-2,5-dicarboxylate
CID 102258239
methyl 2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxylate
CID 17096177
methyl 2-hydroxy-6-thiophen-2-ylbenzoate
CID 15679686
methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate
CID 167489425
methyl 2-(4-methoxyphenyl)-5-thiophen-2-yl-2,3-dihydrofuran-4-carboxylate
CID 122400270
methyl 1-methyl-2,3-dihydropyrrole-5-carboxylate
CID 149466006
methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117137140
methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate
CID 82028184
methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate
CID 61347523
methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate
CID 165446793

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate?
The IUPAC name of methyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate (CID 10635159) is methyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate?
The canonical SMILES for methyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate is COC(=O)C1=C2C(=C(c3cccs3)C1)CCN2C.
What is the InChIKey of methyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate?
The InChIKey is AEDFVESRXLSCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-15-6-5-9-10(12-4-3-7-18-12)8-11(13(9)15)14(16)17-2/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of methyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate?
methyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate has a molecular weight of 261.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-thiophen-2-yl-3,5-dihydro-2H-cyclopenta[b]pyrrole-6-carboxylate is sourced from PubChem (CID 10635159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).