2,3-di(pyrrol-1-yl)-1H-pyrrole

C12H11N3 — CID 67522277

IUPAC2,3-di(pyrrol-1-yl)-1H-pyrrole
SMILESc1ccn(-c2cc[nH]c2-n2cccc2)c1
InChIInChI=1S/C12H11N3/c1-2-8-14(7-1)11-5-6-13-12(11)15-9-3-4-10-15/h1-10,13H
InChIKeyBHZKVHRSAXWIGZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.60
Rot. Bonds2

About 2,3-di(pyrrol-1-yl)-1H-pyrrole

2,3-di(pyrrol-1-yl)-1H-pyrrole (PubChem CID 67522277) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2,3-di(pyrrol-1-yl)-1H-pyrrole.

Molecular Properties

Compound Name2,3-di(pyrrol-1-yl)-1H-pyrrole
PubChem CID67522277
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name2,3-di(pyrrol-1-yl)-1H-pyrrole
SMILESc1ccn(-c2cc[nH]c2-n2cccc2)c1
InChIInChI=1S/C12H11N3/c1-2-8-14(7-1)11-5-6-13-12(11)15-9-3-4-10-15/h1-10,13H
InChIKeyBHZKVHRSAXWIGZ-UHFFFAOYSA-N
XLogP2.60
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(pyrrol-1-yl)-1H-pyrrole?
The IUPAC name of 2,3-di(pyrrol-1-yl)-1H-pyrrole (CID 67522277) is 2,3-di(pyrrol-1-yl)-1H-pyrrole.
What is the SMILES notation for 2,3-di(pyrrol-1-yl)-1H-pyrrole?
The canonical SMILES for 2,3-di(pyrrol-1-yl)-1H-pyrrole is c1ccn(-c2cc[nH]c2-n2cccc2)c1.
What is the InChIKey of 2,3-di(pyrrol-1-yl)-1H-pyrrole?
The InChIKey is BHZKVHRSAXWIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-2-8-14(7-1)11-5-6-13-12(11)15-9-3-4-10-15/h1-10,13H.
What are the key properties of 2,3-di(pyrrol-1-yl)-1H-pyrrole?
2,3-di(pyrrol-1-yl)-1H-pyrrole has a molecular weight of 197.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(pyrrol-1-yl)-1H-pyrrole is sourced from PubChem (CID 67522277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).