4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium

C13H12N2V — CID 158853531

IUPAC4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium
SMILESCc1cccc(-c2c[nH]cc2C#N)c1C.[V]
InChIInChI=1S/C13H12N2.V/c1-9-4-3-5-12(10(9)2)13-8-15-7-11(13)6-14;/h3-5,7-8,15H,1-2H3;
InChIKeyIZTIUUYFBNDZJM-UHFFFAOYSA-N
MW247.20 g/mol
LogP3.17
Rot. Bonds1

About 4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium

4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium (PubChem CID 158853531) has the molecular formula C13H12N2V and a molecular weight of 247.20 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium
PubChem CID158853531
Molecular FormulaC13H12N2V
Molecular Weight247.20 g/mol
Exact Mass247.04
IUPAC Name4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium
SMILESCc1cccc(-c2c[nH]cc2C#N)c1C.[V]
InChIInChI=1S/C13H12N2.V/c1-9-4-3-5-12(10(9)2)13-8-15-7-11(13)6-14;/h3-5,7-8,15H,1-2H3;
InChIKeyIZTIUUYFBNDZJM-UHFFFAOYSA-N
XLogP3.17
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methylsulfonylphenyl)-1H-pyrrole-3-carbonitrile
CID 71413013
4-(2-fluoro-2-methyl-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
CID 59428318
4-(3-methylsulfonylphenyl)-1H-pyrrole-3-carbonitrile
CID 68710149
4-[3-(dimethylamino)phenyl]-1H-pyrrole-3-carbonitrile
CID 71413021
[2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite
CID 58804620
4-(2,2,4,4-tetrafluoro-1,3-benzodioxin-8-yl)-1H-pyrrole-3-carbonitrile
CID 57016938
5-(2,3-dimethylphenyl)-1H-imidazole-2-carbonitrile
CID 19427230
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994
4-[4-(aminomethyl)phenyl]-1H-pyrrole-3-carbonitrile
CID 174296309
3-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392740
methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 162028878
2-methylbenzonitrile
CID 162098401

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium?
The IUPAC name of 4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium (CID 158853531) is 4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium?
The canonical SMILES for 4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium is Cc1cccc(-c2c[nH]cc2C#N)c1C.[V].
What is the InChIKey of 4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium?
The InChIKey is IZTIUUYFBNDZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.V/c1-9-4-3-5-12(10(9)2)13-8-15-7-11(13)6-14;/h3-5,7-8,15H,1-2H3;.
What are the key properties of 4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium?
4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium has a molecular weight of 247.20 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-1H-pyrrole-3-carbonitrile;vanadium is sourced from PubChem (CID 158853531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).