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

C8H12ClNS — CID 18947038

IUPAC3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrochloride
SMILESCCc1scc2c1CNC2.Cl
InChIInChI=1S/C8H11NS.ClH/c1-2-8-7-4-9-3-6(7)5-10-8;/h5,9H,2-4H2,1H3;1H
InChIKeyVLLFFEWDXVJRLC-UHFFFAOYSA-N
MW189.71 g/mol
LogP2.34
Rot. Bonds1

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

3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrochloride (PubChem CID 18947038) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrochloride.

Molecular Properties

Compound Name3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrochloride
PubChem CID18947038
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrochloride
SMILESCCc1scc2c1CNC2.Cl
InChIInChI=1S/C8H11NS.ClH/c1-2-8-7-4-9-3-6(7)5-10-8;/h5,9H,2-4H2,1H3;1H
InChIKeyVLLFFEWDXVJRLC-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 52.34
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
2-(4-Methylthiophen-2-yl)pyrrolidine hydrochloride
CID 165951074
5,6-dihydro-4H-thieno[2,3-c]pyrrole
CID 53691969
3-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine
CID 18377318
2-(trifluoromethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole
CID 82402300
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
N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine
CID 114749104
N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2-difluoroethanamine
CID 114749106
N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine
CID 114749120
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2-difluoroethanamine
CID 114749130
N-[(4-cyclopropyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 114749156

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrochloride?
The IUPAC name of 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrochloride (CID 18947038) is 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrochloride.
What is the SMILES notation for 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrochloride?
The canonical SMILES for 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrochloride is CCc1scc2c1CNC2.Cl.
What is the InChIKey of 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrochloride?
The InChIKey is VLLFFEWDXVJRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.ClH/c1-2-8-7-4-9-3-6(7)5-10-8;/h5,9H,2-4H2,1H3;1H.
What are the key properties of 3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrochloride?
3-ethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrochloride has a molecular weight of 189.71 g/mol, XLogP of 2.34, 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;hydrochloride is sourced from PubChem (CID 18947038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).