1-pyrrol-1-ylpyrrole;thiophene

C12H12N2S — CID 175023544

IUPAC1-pyrrol-1-ylpyrrole;thiophene
SMILESc1ccn(-n2cccc2)c1.c1ccsc1
InChIInChI=1S/C8H8N2.C4H4S/c1-2-6-9(5-1)10-7-3-4-8-10;1-2-4-5-3-1/h1-8H;1-4H
InChIKeyWDJISJZEKYBHJZ-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.35
Rot. Bonds1

About 1-pyrrol-1-ylpyrrole;thiophene

1-pyrrol-1-ylpyrrole;thiophene (PubChem CID 175023544) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-pyrrol-1-ylpyrrole;thiophene.

Molecular Properties

Compound Name1-pyrrol-1-ylpyrrole;thiophene
PubChem CID175023544
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name1-pyrrol-1-ylpyrrole;thiophene
SMILESc1ccn(-n2cccc2)c1.c1ccsc1
InChIInChI=1S/C8H8N2.C4H4S/c1-2-6-9(5-1)10-7-3-4-8-10;1-2-4-5-3-1/h1-8H;1-4H
InChIKeyWDJISJZEKYBHJZ-UHFFFAOYSA-N
XLogP3.35
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrol-1-ylpyrrole;thiophene?
The IUPAC name of 1-pyrrol-1-ylpyrrole;thiophene (CID 175023544) is 1-pyrrol-1-ylpyrrole;thiophene.
What is the SMILES notation for 1-pyrrol-1-ylpyrrole;thiophene?
The canonical SMILES for 1-pyrrol-1-ylpyrrole;thiophene is c1ccn(-n2cccc2)c1.c1ccsc1.
What is the InChIKey of 1-pyrrol-1-ylpyrrole;thiophene?
The InChIKey is WDJISJZEKYBHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C4H4S/c1-2-6-9(5-1)10-7-3-4-8-10;1-2-4-5-3-1/h1-8H;1-4H.
What are the key properties of 1-pyrrol-1-ylpyrrole;thiophene?
1-pyrrol-1-ylpyrrole;thiophene has a molecular weight of 216.31 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrol-1-ylpyrrole;thiophene is sourced from PubChem (CID 175023544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).