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

C9H8N2S — CID 174890715

IUPAC5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole
SMILESC=CCSC1=NC2=CC=NC2=C1
InChIInChI=1S/C9H8N2S/c1-2-5-12-9-6-8-7(11-9)3-4-10-8/h2-4,6H,1,5H2
InChIKeyRGLBGHIKTVKJBX-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.17
Rot. Bonds2

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 Name5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole
PubChem CID174890715
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name5-prop-2-enylsulfanylpyrrolo[3,2-b]pyrrole
SMILESC=CCSC1=NC2=CC=NC2=C1
InChIInChI=1S/C9H8N2S/c1-2-5-12-9-6-8-7(11-9)3-4-10-8/h2-4,6H,1,5H2
InChIKeyRGLBGHIKTVKJBX-UHFFFAOYSA-N
XLogP2.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-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).