5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole

C7H11NS — CID 90127868

IUPAC5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole
SMILESCN1CC2=C(CSC2)C1
InChIInChI=1S/C7H11NS/c1-8-2-6-4-9-5-7(6)3-8/h2-5H2,1H3
InChIKeyCEZZINDCKFHBTD-UHFFFAOYSA-N
MW141.24 g/mol
LogP0.98
Rot. Bonds

About 5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole

5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole (PubChem CID 90127868) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole.

Molecular Properties

Compound Name5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole
PubChem CID90127868
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole
SMILESCN1CC2=C(CSC2)C1
InChIInChI=1S/C7H11NS/c1-8-2-6-4-9-5-7(6)3-8/h2-5H2,1H3
InChIKeyCEZZINDCKFHBTD-UHFFFAOYSA-N
XLogP0.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole?
The IUPAC name of 5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole (CID 90127868) is 5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole.
What is the SMILES notation for 5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole?
The canonical SMILES for 5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole is CN1CC2=C(CSC2)C1.
What is the InChIKey of 5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole?
The InChIKey is CEZZINDCKFHBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-8-2-6-4-9-5-7(6)3-8/h2-5H2,1H3.
What are the key properties of 5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole?
5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole has a molecular weight of 141.24 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3,4,6-tetrahydrothieno[3,4-c]pyrrole is sourced from PubChem (CID 90127868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).