(3R)-3-(2-methylphenyl)butanenitrile

C11H13N — CID 135003945

IUPAC(3R)-3-(2-methylphenyl)butanenitrile
SMILESCc1ccccc1[C@H](C)CC#N
InChIInChI=1S/C11H13N/c1-9-5-3-4-6-11(9)10(2)7-8-12/h3-6,10H,7H2,1-2H3/t10-/m1/s1
InChIKeyGLIZPIJJFYOBOG-SNVBAGLBSA-N
MW159.23 g/mol
LogP3.01
Rot. Bonds2

About (3R)-3-(2-methylphenyl)butanenitrile

(3R)-3-(2-methylphenyl)butanenitrile (PubChem CID 135003945) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (3R)-3-(2-methylphenyl)butanenitrile.

Molecular Properties

Compound Name(3R)-3-(2-methylphenyl)butanenitrile
PubChem CID135003945
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(3R)-3-(2-methylphenyl)butanenitrile
SMILESCc1ccccc1[C@H](C)CC#N
InChIInChI=1S/C11H13N/c1-9-5-3-4-6-11(9)10(2)7-8-12/h3-6,10H,7H2,1-2H3/t10-/m1/s1
InChIKeyGLIZPIJJFYOBOG-SNVBAGLBSA-N
XLogP3.01
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methylphenyl)butanenitrile;3-(2-methylphenyl)propanenitrile
CID 159975245
3-[2-(1-cyanopropan-2-yl)-3-methylphenyl]butanenitrile
CID 141159483
3-(2,3-dichlorophenyl)butanenitrile
CID 83639930
CID 67747413
CID 67747413
1-methyl-2-(1-phenylpropan-2-yl)benzene
CID 22356709
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
(2S)-3-methyl-2-(2-methylphenyl)butanenitrile
CID 92978892
4-[[(1S)-1-(2-methylphenyl)ethyl]amino]butanenitrile
CID 81374879
1-(1-isocyanatopropan-2-yl)-2-methylbenzene
CID 83529669
2-(2-methylphenyl)propylhydrazine
CID 130631257
(3S)-3-(2-methylphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306230
4-methyl-3-[(2-methylphenyl)methyl]pentanenitrile
CID 570616

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylphenyl)butanenitrile?
The IUPAC name of (3R)-3-(2-methylphenyl)butanenitrile (CID 135003945) is (3R)-3-(2-methylphenyl)butanenitrile.
What is the SMILES notation for (3R)-3-(2-methylphenyl)butanenitrile?
The canonical SMILES for (3R)-3-(2-methylphenyl)butanenitrile is Cc1ccccc1[C@H](C)CC#N.
What is the InChIKey of (3R)-3-(2-methylphenyl)butanenitrile?
The InChIKey is GLIZPIJJFYOBOG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13N/c1-9-5-3-4-6-11(9)10(2)7-8-12/h3-6,10H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-(2-methylphenyl)butanenitrile?
(3R)-3-(2-methylphenyl)butanenitrile has a molecular weight of 159.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylphenyl)butanenitrile is sourced from PubChem (CID 135003945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).