3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile

C14H12N2 — CID 177376780

IUPAC3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile
SMILESC=Cc1ccccc1-c1ccn(C)c1C#N
InChIInChI=1S/C14H12N2/c1-3-11-6-4-5-7-12(11)13-8-9-16(2)14(13)10-15/h3-9H,1H2,2H3
InChIKeyGLEWYJQDNGLWOU-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.21
Rot. Bonds2

About 3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile

3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile (PubChem CID 177376780) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile
PubChem CID177376780
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile
SMILESC=Cc1ccccc1-c1ccn(C)c1C#N
InChIInChI=1S/C14H12N2/c1-3-11-6-4-5-7-12(11)13-8-9-16(2)14(13)10-15/h3-9H,1H2,2H3
InChIKeyGLEWYJQDNGLWOU-UHFFFAOYSA-N
XLogP3.21
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile (CID 177376780) is 3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile is C=Cc1ccccc1-c1ccn(C)c1C#N.
What is the InChIKey of 3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile?
The InChIKey is GLEWYJQDNGLWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-3-11-6-4-5-7-12(11)13-8-9-16(2)14(13)10-15/h3-9H,1H2,2H3.
What are the key properties of 3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile?
3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile has a molecular weight of 208.26 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenylphenyl)-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 177376780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).