2-(3H-pyrrol-3-yl)-2H-pyrrole

C8H8N2 — CID 59806944

IUPAC2-(3H-pyrrol-3-yl)-2H-pyrrole
SMILESC1=CC(C2C=CN=C2)N=C1
InChIInChI=1S/C8H8N2/c1-2-8(10-4-1)7-3-5-9-6-7/h1-8H
InChIKeyMIIUAVLOOCGDFU-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.21
Rot. Bonds1

About 2-(3H-pyrrol-3-yl)-2H-pyrrole

2-(3H-pyrrol-3-yl)-2H-pyrrole (PubChem CID 59806944) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 2-(3H-pyrrol-3-yl)-2H-pyrrole.

Molecular Properties

Compound Name2-(3H-pyrrol-3-yl)-2H-pyrrole
PubChem CID59806944
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name2-(3H-pyrrol-3-yl)-2H-pyrrole
SMILESC1=CC(C2C=CN=C2)N=C1
InChIInChI=1S/C8H8N2/c1-2-8(10-4-1)7-3-5-9-6-7/h1-8H
InChIKeyMIIUAVLOOCGDFU-UHFFFAOYSA-N
XLogP1.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-pyrrol-3-yl)-2H-pyrrole?
The IUPAC name of 2-(3H-pyrrol-3-yl)-2H-pyrrole (CID 59806944) is 2-(3H-pyrrol-3-yl)-2H-pyrrole.
What is the SMILES notation for 2-(3H-pyrrol-3-yl)-2H-pyrrole?
The canonical SMILES for 2-(3H-pyrrol-3-yl)-2H-pyrrole is C1=CC(C2C=CN=C2)N=C1.
What is the InChIKey of 2-(3H-pyrrol-3-yl)-2H-pyrrole?
The InChIKey is MIIUAVLOOCGDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-8(10-4-1)7-3-5-9-6-7/h1-8H.
What are the key properties of 2-(3H-pyrrol-3-yl)-2H-pyrrole?
2-(3H-pyrrol-3-yl)-2H-pyrrole has a molecular weight of 132.17 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-pyrrol-3-yl)-2H-pyrrole is sourced from PubChem (CID 59806944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).