5-methylidenethieno[2,3-b]pyrrole

C7H5NS — CID 123603012

IUPAC5-methylidenethieno[2,3-b]pyrrole
SMILESC=C1C=c2ccsc2=N1
InChIInChI=1S/C7H5NS/c1-5-4-6-2-3-9-7(6)8-5/h2-4H,1H2
InChIKeyVSWDZAHQBGKOFI-UHFFFAOYSA-N
MW135.19 g/mol
LogP0.68
Rot. Bonds

About 5-methylidenethieno[2,3-b]pyrrole

5-methylidenethieno[2,3-b]pyrrole (PubChem CID 123603012) has the molecular formula C7H5NS and a molecular weight of 135.19 g/mol. Its IUPAC name is 5-methylidenethieno[2,3-b]pyrrole.

Molecular Properties

Compound Name5-methylidenethieno[2,3-b]pyrrole
PubChem CID123603012
Molecular FormulaC7H5NS
Molecular Weight135.19 g/mol
Exact Mass135.01
IUPAC Name5-methylidenethieno[2,3-b]pyrrole
SMILESC=C1C=c2ccsc2=N1
InChIInChI=1S/C7H5NS/c1-5-4-6-2-3-9-7(6)8-5/h2-4H,1H2
InChIKeyVSWDZAHQBGKOFI-UHFFFAOYSA-N
XLogP0.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylidenethieno[2,3-b]pyrrole?
The IUPAC name of 5-methylidenethieno[2,3-b]pyrrole (CID 123603012) is 5-methylidenethieno[2,3-b]pyrrole.
What is the SMILES notation for 5-methylidenethieno[2,3-b]pyrrole?
The canonical SMILES for 5-methylidenethieno[2,3-b]pyrrole is C=C1C=c2ccsc2=N1.
What is the InChIKey of 5-methylidenethieno[2,3-b]pyrrole?
The InChIKey is VSWDZAHQBGKOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS/c1-5-4-6-2-3-9-7(6)8-5/h2-4H,1H2.
What are the key properties of 5-methylidenethieno[2,3-b]pyrrole?
5-methylidenethieno[2,3-b]pyrrole has a molecular weight of 135.19 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenethieno[2,3-b]pyrrole is sourced from PubChem (CID 123603012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).