1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole

C8H11NS — CID 18947040

IUPAC1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
SMILESCc1sc(C)c2c1CNC2
InChIInChI=1S/C8H11NS/c1-5-7-3-9-4-8(7)6(2)10-5/h9H,3-4H2,1-2H3
InChIKeyNGMFYESLRBGZKA-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.97
Rot. Bonds

About 1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole

1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole (PubChem CID 18947040) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole.

Molecular Properties

Compound Name1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
PubChem CID18947040
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
SMILESCc1sc(C)c2c1CNC2
InChIInChI=1S/C8H11NS/c1-5-7-3-9-4-8(7)6(2)10-5/h9H,3-4H2,1-2H3
InChIKeyNGMFYESLRBGZKA-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
The IUPAC name of 1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole (CID 18947040) is 1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole.
What is the SMILES notation for 1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
The canonical SMILES for 1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole is Cc1sc(C)c2c1CNC2.
What is the InChIKey of 1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
The InChIKey is NGMFYESLRBGZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-5-7-3-9-4-8(7)6(2)10-5/h9H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole?
1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole has a molecular weight of 153.25 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole is sourced from PubChem (CID 18947040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).