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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).