4-methyl-5H-thieno[2,3-b]pyrrole

C7H7NS — CID 20674259

IUPAC4-methyl-5H-thieno[2,3-b]pyrrole
SMILESCC1=c2ccsc2=NC1
InChIInChI=1S/C7H7NS/c1-5-4-8-7-6(5)2-3-9-7/h2-3H,4H2,1H3
InChIKeyQLUYINNQFVOMBP-UHFFFAOYSA-N
MW137.21 g/mol
LogP0.55
Rot. Bonds

About 4-methyl-5H-thieno[2,3-b]pyrrole

4-methyl-5H-thieno[2,3-b]pyrrole (PubChem CID 20674259) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 4-methyl-5H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name4-methyl-5H-thieno[2,3-b]pyrrole
PubChem CID20674259
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name4-methyl-5H-thieno[2,3-b]pyrrole
SMILESCC1=c2ccsc2=NC1
InChIInChI=1S/C7H7NS/c1-5-4-8-7-6(5)2-3-9-7/h2-3H,4H2,1H3
InChIKeyQLUYINNQFVOMBP-UHFFFAOYSA-N
XLogP0.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolo[2,3-b]thiophene
CID 69330287
5H-thieno[2,3-b]pyrrole
CID 123319904
3-ethylidene-N-methylthiophen-2-imine
CID 123936114
5-methyl-5H-thieno[2,3-b]pyrrole
CID 130294568
ethane;(3Z)-N-ethyl-3-ethylidenethiophen-2-imine
CID 145640282
(3Z)-3-ethylidene-N-methylthiophen-2-imine
CID 164596100
(3Z)-N-ethyl-3-ethylidenethiophen-2-imine
CID 145640283

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5H-thieno[2,3-b]pyrrole?
The IUPAC name of 4-methyl-5H-thieno[2,3-b]pyrrole (CID 20674259) is 4-methyl-5H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 4-methyl-5H-thieno[2,3-b]pyrrole?
The canonical SMILES for 4-methyl-5H-thieno[2,3-b]pyrrole is CC1=c2ccsc2=NC1.
What is the InChIKey of 4-methyl-5H-thieno[2,3-b]pyrrole?
The InChIKey is QLUYINNQFVOMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-5-4-8-7-6(5)2-3-9-7/h2-3H,4H2,1H3.
What are the key properties of 4-methyl-5H-thieno[2,3-b]pyrrole?
4-methyl-5H-thieno[2,3-b]pyrrole has a molecular weight of 137.21 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 20674259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).