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

C7H10BrNS — CID 18947035

IUPAC3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrobromide
SMILESBr.Cc1scc2c1CNC2
InChIInChI=1S/C7H9NS.BrH/c1-5-7-3-8-2-6(7)4-9-5;/h4,8H,2-3H2,1H3;1H
InChIKeyZUSSTXAYYOTSJY-UHFFFAOYSA-N
MW220.13 g/mol
LogP2.24
Rot. Bonds

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

3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrobromide (PubChem CID 18947035) has the molecular formula C7H10BrNS and a molecular weight of 220.13 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrobromide.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrobromide
PubChem CID18947035
Molecular FormulaC7H10BrNS
Molecular Weight220.13 g/mol
Exact Mass218.97
IUPAC Name3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrobromide
SMILESBr.Cc1scc2c1CNC2
InChIInChI=1S/C7H9NS.BrH/c1-5-7-3-8-2-6(7)4-9-5;/h4,8H,2-3H2,1H3;1H
InChIKeyZUSSTXAYYOTSJY-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dihydro-4H-thieno[2,3-c]pyrrole
CID 53691969
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-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2-difluoroethanamine
CID 114749120
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
2,2,2-trifluoro-N-[(5-methyl-4-propan-2-ylthiophen-3-yl)methyl]ethanamine
CID 114749186
N-[(4-ethyl-5-methylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 114749192
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-3-ylmethyl)-2,2,2-trifluoroethanamine
CID 114749202
5,6-Dihydro-4H-thieno[3,4-c]pyrrole-1-carbonitrile
CID 15284967
3-(1-methylcyclopropyl)-5,6-dihydro-4H-thieno[3,4-c]pyrrole
CID 15284968
N-methyl-1-(4-methylthiophen-2-yl)methanamine
CID 18525716

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrobromide?
The IUPAC name of 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrobromide (CID 18947035) is 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrobromide.
What is the SMILES notation for 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrobromide?
The canonical SMILES for 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrobromide is Br.Cc1scc2c1CNC2.
What is the InChIKey of 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrobromide?
The InChIKey is ZUSSTXAYYOTSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS.BrH/c1-5-7-3-8-2-6(7)4-9-5;/h4,8H,2-3H2,1H3;1H.
What are the key properties of 3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrobromide?
3-methyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole;hydrobromide has a molecular weight of 220.13 g/mol, XLogP of 2.24, 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;hydrobromide is sourced from PubChem (CID 18947035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).