5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole

C₉H₈N₂S — CID 174890715

About 5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole

5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole (PubChem CID 174890715) has the molecular formula C₉H₈N₂S and a molecular weight of 176.24 g/mol. Its IUPAC name is 5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole.

Molecular Properties

• Compound Name: 5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole
• PubChem CID: 174890715
• Molecular Formula: C₉H₈N₂S
• Molecular Weight: 176.24 g/mol
• Exact Mass: 176.04
• IUPAC Name: 5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole
• SMILES: C=CCSC1=NC2=CC=NC2=C1
• InChI: InChI=1S/C9H8N2S/c1-2-5-12-9-6-8-7(11-9)3-4-10-8/h2-4,6H,1,5H2
• InChIKey: RGLBGHIKTVKJBX-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 24.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	176.24
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole?

The IUPAC name of 5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole (CID 174890715) is 5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole.

What is the SMILES notation for 5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole?

The canonical SMILES for 5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole is C=CCSC1=NC2=CC=NC2=C1.

What is the InChIKey of 5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole?

The InChIKey is RGLBGHIKTVKJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-2-5-12-9-6-8-7(11-9)3-4-10-8/h2-4,6H,1,5H2.

What are the key properties of 5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole?

5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole has a molecular weight of 176.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 174890715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174890715 — identifiers, structure, computed properties (public domain)

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