2,3-di(ethylidene)-1H-pyrrole

C8H11N — CID 90821154

IUPAC2,3-di(ethylidene)-1H-pyrrole
SMILESCC=c1cc[nH]c1=CC
InChIInChI=1S/C8H11N/c1-3-7-5-6-9-8(7)4-2/h3-6,9H,1-2H3
InChIKeyYGRUQVJLICIIHZ-UHFFFAOYSA-N
MW121.18 g/mol
LogP0.62
Rot. Bonds

About 2,3-di(ethylidene)-1H-pyrrole

2,3-di(ethylidene)-1H-pyrrole (PubChem CID 90821154) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2,3-di(ethylidene)-1H-pyrrole.

Molecular Properties

Compound Name2,3-di(ethylidene)-1H-pyrrole
PubChem CID90821154
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2,3-di(ethylidene)-1H-pyrrole
SMILESCC=c1cc[nH]c1=CC
InChIInChI=1S/C8H11N/c1-3-7-5-6-9-8(7)4-2/h3-6,9H,1-2H3
InChIKeyYGRUQVJLICIIHZ-UHFFFAOYSA-N
XLogP0.62
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(ethylidene)-1H-pyrrole?
The IUPAC name of 2,3-di(ethylidene)-1H-pyrrole (CID 90821154) is 2,3-di(ethylidene)-1H-pyrrole.
What is the SMILES notation for 2,3-di(ethylidene)-1H-pyrrole?
The canonical SMILES for 2,3-di(ethylidene)-1H-pyrrole is CC=c1cc[nH]c1=CC.
What is the InChIKey of 2,3-di(ethylidene)-1H-pyrrole?
The InChIKey is YGRUQVJLICIIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-7-5-6-9-8(7)4-2/h3-6,9H,1-2H3.
What are the key properties of 2,3-di(ethylidene)-1H-pyrrole?
2,3-di(ethylidene)-1H-pyrrole has a molecular weight of 121.18 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(ethylidene)-1H-pyrrole is sourced from PubChem (CID 90821154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).