3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole

C8H11NS — CID 18947039

IUPAC3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
SMILESCCc1scc2c1CNC2
InChIInChI=1S/C8H11NS/c1-2-8-7-4-9-3-6(7)5-10-8/h5,9H,2-4H2,1H3
InChIKeyLVXIJEFBXHEDLH-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.91
Rot. Bonds1

About 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole

3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole (PubChem CID 18947039) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole.

Molecular Properties

Compound Name3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
PubChem CID18947039
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
SMILESCCc1scc2c1CNC2
InChIInChI=1S/C8H11NS/c1-2-8-7-4-9-3-6(7)5-10-8/h5,9H,2-4H2,1H3
InChIKeyLVXIJEFBXHEDLH-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4H,5H,6H,7H-thieno(3,2-c)pyridine hydrochloride
CID 155977909
5,6-dihydro-4H-thieno[2,3-c]pyrrole
CID 53691969
3-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine
CID 18377318
1-(1-Methylethyl)-5,6-dihydro-4H-thieno[3,4-c]pyrrole trifluoroacetate
CID 18947042
N,N'-diethyl-2,5-dimethyl-3,4-thiophenedimethylamine
CID 129803359
2-(4-Methylthiophen-2-yl)pyrrolidine
CID 4372347
2-(trifluoromethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole
CID 82402300
2,2-difluoro-N-[(5-hexyl-4-methylthiophen-3-yl)methyl]ethanamine
CID 113626053
2,2-difluoro-N-[(4-methyl-5-pentylthiophen-3-yl)methyl]ethanamine
CID 113626058
2,2,2-trifluoro-N-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-3-ylmethyl)ethanamine
CID 113626065
N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine
CID 114749080
N-[(4,5-dimethylthiophen-3-yl)methyl]-2,2-difluoroethanamine
CID 114749097

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
The IUPAC name of 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole (CID 18947039) is 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole.
What is the SMILES notation for 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
The canonical SMILES for 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole is CCc1scc2c1CNC2.
What is the InChIKey of 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
The InChIKey is LVXIJEFBXHEDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-8-7-4-9-3-6(7)5-10-8/h5,9H,2-4H2,1H3.
What are the key properties of 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole has a molecular weight of 153.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole is sourced from PubChem (CID 18947039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).