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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Related Compounds

methyl 5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepine-2-carboxylate
CID 131270641
methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 3506281
methyl 5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophene-2-carboxylate
CID 134341773
methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7987070
ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride
CID 66523915
methyl 4H-thieno[2,3-c]pyrrole-2-carboxylate
CID 158673655
methyl 4-oxo-7H-thieno[2,3-c]pyran-2-carboxylate
CID 131427405
dimethyl 2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 129045730
methyl 7-chloro-2,3-dihydro-1H-isoindole-5-carboxylate
CID 130064567
methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride
CID 172915979
1-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl)-N-methylmethanamine
CID 176973928
methyl 4-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 83985741

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).