methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate

C8H9NO2S — CID 55252787

IUPACmethyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CNC2
InChIInChI=1S/C8H9NO2S/c1-11-8(10)6-2-5-3-9-4-7(5)12-6/h2,9H,3-4H2,1H3
InChIKeyFGDDGGRPQFRCJB-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.14
Rot. Bonds1

About methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate

methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate (PubChem CID 55252787) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate
PubChem CID55252787
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Namemethyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)CNC2
InChIInChI=1S/C8H9NO2S/c1-11-8(10)6-2-5-3-9-4-7(5)12-6/h2,9H,3-4H2,1H3
InChIKeyFGDDGGRPQFRCJB-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate?
The IUPAC name of methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate (CID 55252787) is methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate?
The canonical SMILES for methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate is COC(=O)c1cc2c(s1)CNC2.
What is the InChIKey of methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate?
The InChIKey is FGDDGGRPQFRCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-11-8(10)6-2-5-3-9-4-7(5)12-6/h2,9H,3-4H2,1H3.
What are the key properties of methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate?
methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate has a molecular weight of 183.23 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate is sourced from PubChem (CID 55252787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).