5-ethenyl-1H-pyrrole-2-carbonitrile

C7H6N2 — CID 141087586

IUPAC5-ethenyl-1H-pyrrole-2-carbonitrile
SMILESC=Cc1ccc(C#N)[nH]1
InChIInChI=1S/C7H6N2/c1-2-6-3-4-7(5-8)9-6/h2-4,9H,1H2
InChIKeyFCTZZSUYNXHQCP-UHFFFAOYSA-N
MW118.14 g/mol
LogP1.53
Rot. Bonds1

About 5-ethenyl-1H-pyrrole-2-carbonitrile

5-ethenyl-1H-pyrrole-2-carbonitrile (PubChem CID 141087586) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 5-ethenyl-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name5-ethenyl-1H-pyrrole-2-carbonitrile
PubChem CID141087586
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name5-ethenyl-1H-pyrrole-2-carbonitrile
SMILESC=Cc1ccc(C#N)[nH]1
InChIInChI=1S/C7H6N2/c1-2-6-3-4-7(5-8)9-6/h2-4,9H,1H2
InChIKeyFCTZZSUYNXHQCP-UHFFFAOYSA-N
XLogP1.53
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1H-pyrrole-2-carbonitrile?
The IUPAC name of 5-ethenyl-1H-pyrrole-2-carbonitrile (CID 141087586) is 5-ethenyl-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 5-ethenyl-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 5-ethenyl-1H-pyrrole-2-carbonitrile is C=Cc1ccc(C#N)[nH]1.
What is the InChIKey of 5-ethenyl-1H-pyrrole-2-carbonitrile?
The InChIKey is FCTZZSUYNXHQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-6-3-4-7(5-8)9-6/h2-4,9H,1H2.
What are the key properties of 5-ethenyl-1H-pyrrole-2-carbonitrile?
5-ethenyl-1H-pyrrole-2-carbonitrile has a molecular weight of 118.14 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 141087586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).