3-[2-(cyanomethyl)phenyl]propanenitrile

C11H10N2 — CID 55267785

IUPAC3-[2-(cyanomethyl)phenyl]propanenitrile
SMILESN#CCCc1ccccc1CC#N
InChIInChI=1S/C11H10N2/c12-8-3-6-10-4-1-2-5-11(10)7-9-13/h1-2,4-5H,3,6-7H2
InChIKeyFVBBHBKNBNHLGD-UHFFFAOYSA-N
MW170.22 g/mol
LogP2.21
Rot. Bonds3

About 3-[2-(cyanomethyl)phenyl]propanenitrile

3-[2-(cyanomethyl)phenyl]propanenitrile (PubChem CID 55267785) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 3-[2-(cyanomethyl)phenyl]propanenitrile.

Molecular Properties

Compound Name3-[2-(cyanomethyl)phenyl]propanenitrile
PubChem CID55267785
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name3-[2-(cyanomethyl)phenyl]propanenitrile
SMILESN#CCCc1ccccc1CC#N
InChIInChI=1S/C11H10N2/c12-8-3-6-10-4-1-2-5-11(10)7-9-13/h1-2,4-5H,3,6-7H2
InChIKeyFVBBHBKNBNHLGD-UHFFFAOYSA-N
XLogP2.21
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylphenyl)propanenitrile
CID 66922465
3-[2-[2-[2-(2-cyanoethyl)phenyl]ethynyl]phenyl]propanenitrile
CID 134843592
2-[2-(2-methoxyethyl)phenyl]acetonitrile
CID 22645928
3-[2-(2-methylphenyl)phenyl]propanenitrile
CID 90950416
3-[2-(4-bromophenyl)phenyl]propanenitrile
CID 22565261
3-[2-(trifluoromethoxy)phenyl]propanenitrile
CID 53434364
3-(2-ethoxyphenyl)propanenitrile
CID 53434291
2-[2-chloro-3-(cyanomethyl)phenyl]acetonitrile
CID 56997307
3-[4-(cyanomethyl)phenyl]propanenitrile
CID 55267944
propanenitrile;3-[2-(trifluoromethyl)phenyl]propanenitrile
CID 163942227
3-[2-(2,2-difluoroethylsulfanyl)phenyl]propanenitrile
CID 84791480
3-(2-cyanoethyl)-2-hydroxybenzonitrile
CID 130865836

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyanomethyl)phenyl]propanenitrile?
The IUPAC name of 3-[2-(cyanomethyl)phenyl]propanenitrile (CID 55267785) is 3-[2-(cyanomethyl)phenyl]propanenitrile.
What is the SMILES notation for 3-[2-(cyanomethyl)phenyl]propanenitrile?
The canonical SMILES for 3-[2-(cyanomethyl)phenyl]propanenitrile is N#CCCc1ccccc1CC#N.
What is the InChIKey of 3-[2-(cyanomethyl)phenyl]propanenitrile?
The InChIKey is FVBBHBKNBNHLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c12-8-3-6-10-4-1-2-5-11(10)7-9-13/h1-2,4-5H,3,6-7H2.
What are the key properties of 3-[2-(cyanomethyl)phenyl]propanenitrile?
3-[2-(cyanomethyl)phenyl]propanenitrile has a molecular weight of 170.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyanomethyl)phenyl]propanenitrile is sourced from PubChem (CID 55267785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).