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

C8H11N — CID 88548453

IUPAC(2E,3Z)-2,3-di(ethylidene)-1H-pyrrole
SMILESC/C=c1/cc[nH]/c1=C/C
InChIInChI=1S/C8H11N/c1-3-7-5-6-9-8(7)4-2/h3-6,9H,1-2H3/b7-3-,8-4+
InChIKeyYGRUQVJLICIIHZ-KYPMKJFLSA-N
MW121.18 g/mol
LogP0.62
Rot. Bonds

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

(2E,3Z)-2,3-di(ethylidene)-1H-pyrrole (PubChem CID 88548453) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (2E,3Z)-2,3-di(ethylidene)-1H-pyrrole.

Molecular Properties

Compound Name(2E,3Z)-2,3-di(ethylidene)-1H-pyrrole
PubChem CID88548453
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(2E,3Z)-2,3-di(ethylidene)-1H-pyrrole
SMILESC/C=c1/cc[nH]/c1=C/C
InChIInChI=1S/C8H11N/c1-3-7-5-6-9-8(7)4-2/h3-6,9H,1-2H3/b7-3-,8-4+
InChIKeyYGRUQVJLICIIHZ-KYPMKJFLSA-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 (2E,3Z)-2,3-di(ethylidene)-1H-pyrrole?
The IUPAC name of (2E,3Z)-2,3-di(ethylidene)-1H-pyrrole (CID 88548453) is (2E,3Z)-2,3-di(ethylidene)-1H-pyrrole.
What is the SMILES notation for (2E,3Z)-2,3-di(ethylidene)-1H-pyrrole?
The canonical SMILES for (2E,3Z)-2,3-di(ethylidene)-1H-pyrrole is C/C=c1/cc[nH]/c1=C/C.
What is the InChIKey of (2E,3Z)-2,3-di(ethylidene)-1H-pyrrole?
The InChIKey is YGRUQVJLICIIHZ-KYPMKJFLSA-N. The full InChI is InChI=1S/C8H11N/c1-3-7-5-6-9-8(7)4-2/h3-6,9H,1-2H3/b7-3-,8-4+.
What are the key properties of (2E,3Z)-2,3-di(ethylidene)-1H-pyrrole?
(2E,3Z)-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 (2E,3Z)-2,3-di(ethylidene)-1H-pyrrole is sourced from PubChem (CID 88548453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).