2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile

C14H14N2 — CID 141329937

IUPAC2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile
SMILESCC(C)(C#N)c1c[nH]c(-c2ccccc2)c1
InChIInChI=1S/C14H14N2/c1-14(2,10-15)12-8-13(16-9-12)11-6-4-3-5-7-11/h3-9,16H,1-2H3
InChIKeyYEISPSVLJSTZKW-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.48
Rot. Bonds2

About 2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile

2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile (PubChem CID 141329937) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile
PubChem CID141329937
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile
SMILESCC(C)(C#N)c1c[nH]c(-c2ccccc2)c1
InChIInChI=1S/C14H14N2/c1-14(2,10-15)12-8-13(16-9-12)11-6-4-3-5-7-11/h3-9,16H,1-2H3
InChIKeyYEISPSVLJSTZKW-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-(2-phenylphenyl)propanenitrile
CID 151853688
2-[3-[4-(2-cyanopropan-2-yl)phenyl]phenyl]acetic acid
CID 122569216
2-[4-(4-fluorophenyl)phenyl]-2-methylpropanenitrile
CID 82084297
tert-butyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 15073223
2-amino-2-(4-phenylphenyl)propanenitrile
CID 16783156
2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile
CID 82088863
2-(3-fluoro-4-phenylphenyl)-2-methylpropanedinitrile
CID 175411636
bis(acetonitrile);1,1'-biphenyl
CID 175366291
4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 628684
2-(3,4-difluorophenyl)-2-methylpropanenitrile
CID 55264652
2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile
CID 67324339
4-amino-3-fluorobenzonitrile;5-phenyl-1H-pyrrole-3-thiol
CID 166153645

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile (CID 141329937) is 2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile is CC(C)(C#N)c1c[nH]c(-c2ccccc2)c1.
What is the InChIKey of 2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile?
The InChIKey is YEISPSVLJSTZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-14(2,10-15)12-8-13(16-9-12)11-6-4-3-5-7-11/h3-9,16H,1-2H3.
What are the key properties of 2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile?
2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile has a molecular weight of 210.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-phenyl-1H-pyrrol-3-yl)propanenitrile is sourced from PubChem (CID 141329937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).