3-pyrrol-3-ylidenepyrrole

C8H6N2 — CID 70015710

IUPAC3-pyrrol-3-ylidenepyrrole
SMILESC1=CC(=C2C=CN=C2)C=N1
InChIInChI=1S/C8H6N2/c1-3-9-5-7(1)8-2-4-10-6-8/h1-6H
InChIKeyKPARSEONHRMUJF-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.48
Rot. Bonds

About 3-pyrrol-3-ylidenepyrrole

3-pyrrol-3-ylidenepyrrole (PubChem CID 70015710) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 3-pyrrol-3-ylidenepyrrole.

Molecular Properties

Compound Name3-pyrrol-3-ylidenepyrrole
PubChem CID70015710
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Name3-pyrrol-3-ylidenepyrrole
SMILESC1=CC(=C2C=CN=C2)C=N1
InChIInChI=1S/C8H6N2/c1-3-9-5-7(1)8-2-4-10-6-8/h1-6H
InChIKeyKPARSEONHRMUJF-UHFFFAOYSA-N
XLogP1.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-3-ylidenepyrrole?
The IUPAC name of 3-pyrrol-3-ylidenepyrrole (CID 70015710) is 3-pyrrol-3-ylidenepyrrole.
What is the SMILES notation for 3-pyrrol-3-ylidenepyrrole?
The canonical SMILES for 3-pyrrol-3-ylidenepyrrole is C1=CC(=C2C=CN=C2)C=N1.
What is the InChIKey of 3-pyrrol-3-ylidenepyrrole?
The InChIKey is KPARSEONHRMUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-3-9-5-7(1)8-2-4-10-6-8/h1-6H.
What are the key properties of 3-pyrrol-3-ylidenepyrrole?
3-pyrrol-3-ylidenepyrrole has a molecular weight of 130.15 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-3-ylidenepyrrole is sourced from PubChem (CID 70015710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).