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

C7H9NS — CID 18947036

IUPAC3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
SMILESCc1scc2c1CNC2
InChIInChI=1S/C7H9NS/c1-5-7-3-8-2-6(7)4-9-5/h4,8H,2-3H2,1H3
InChIKeyFGVVZDCWXVGUHS-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.66
Rot. Bonds

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

3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole (PubChem CID 18947036) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
PubChem CID18947036
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
SMILESCc1scc2c1CNC2
InChIInChI=1S/C7H9NS/c1-5-7-3-8-2-6(7)4-9-5/h4,8H,2-3H2,1H3
InChIKeyFGVVZDCWXVGUHS-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 961382
5,6-dihydro-4H-thieno[2,3-c]pyrrole
CID 53691969
2-(trifluoromethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrole
CID 82402300
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
2,2-difluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine
CID 114749115
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-[(4,5-dimethylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 114749170
N-[(5-ethyl-4-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 114749176
N-[(5-ethyl-4-propylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 114749178
2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine
CID 114749186

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
The IUPAC name of 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole (CID 18947036) is 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole.
What is the SMILES notation for 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
The canonical SMILES for 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole is Cc1scc2c1CNC2.
What is the InChIKey of 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
The InChIKey is FGVVZDCWXVGUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-5-7-3-8-2-6(7)4-9-5/h4,8H,2-3H2,1H3.
What are the key properties of 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole has a molecular weight of 139.22 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole is sourced from PubChem (CID 18947036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).