2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile

C14H14N2 — CID 116834301

IUPAC2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile
SMILESCc1ccc(C(C#N)c2cc[nH]c2)c(C)c1
InChIInChI=1S/C14H14N2/c1-10-3-4-13(11(2)7-10)14(8-15)12-5-6-16-9-12/h3-7,9,14,16H,1-2H3
InChIKeyOUUNCCTVRPDEOZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.29
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile

2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile (PubChem CID 116834301) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile
PubChem CID116834301
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile
SMILESCc1ccc(C(C#N)c2cc[nH]c2)c(C)c1
InChIInChI=1S/C14H14N2/c1-10-3-4-13(11(2)7-10)14(8-15)12-5-6-16-9-12/h3-7,9,14,16H,1-2H3
InChIKeyOUUNCCTVRPDEOZ-UHFFFAOYSA-N
XLogP3.29
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methoxy-4,5-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile
CID 116834320
2-(5-chloro-2-methoxy-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile
CID 116834334
2-(2,4-dimethylphenyl)-2-methoxyacetonitrile
CID 66070287
2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 116834286
2-(4-amino-2-methylphenyl)-2-phenylacetonitrile
CID 134112838
3-amino-2-(2,4-dimethylphenyl)propanenitrile
CID 82503365
2-[dimethylamino(1H-pyrrol-3-yl)methyl]butanenitrile
CID 116913716
2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
CID 43115225
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
2,2-bis(3-methylphenyl)acetonitrile
CID 71128021
2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62585695
2-(4-tert-butyl-2-methylphenyl)-2-(1H-imidazol-2-yl)acetonitrile
CID 116834609

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile (CID 116834301) is 2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile is Cc1ccc(C(C#N)c2cc[nH]c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile?
The InChIKey is OUUNCCTVRPDEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-10-3-4-13(11(2)7-10)14(8-15)12-5-6-16-9-12/h3-7,9,14,16H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile?
2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile has a molecular weight of 210.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile is sourced from PubChem (CID 116834301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).