4-methyl-2-(1-methylazetidin-2-yl)benzonitrile

C12H14N2 — CID 151802336

IUPAC4-methyl-2-(1-methylazetidin-2-yl)benzonitrile
SMILESCc1ccc(C#N)c(C2CCN2C)c1
InChIInChI=1S/C12H14N2/c1-9-3-4-10(8-13)11(7-9)12-5-6-14(12)2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyRYWLRSNMCXJRRH-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.24
Rot. Bonds1

About 4-methyl-2-(1-methylazetidin-2-yl)benzonitrile

4-methyl-2-(1-methylazetidin-2-yl)benzonitrile (PubChem CID 151802336) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-methyl-2-(1-methylazetidin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-methyl-2-(1-methylazetidin-2-yl)benzonitrile
PubChem CID151802336
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-methyl-2-(1-methylazetidin-2-yl)benzonitrile
SMILESCc1ccc(C#N)c(C2CCN2C)c1
InChIInChI=1S/C12H14N2/c1-9-3-4-10(8-13)11(7-9)12-5-6-14(12)2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyRYWLRSNMCXJRRH-UHFFFAOYSA-N
XLogP2.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylazetidin-2-yl)benzonitrile?
The IUPAC name of 4-methyl-2-(1-methylazetidin-2-yl)benzonitrile (CID 151802336) is 4-methyl-2-(1-methylazetidin-2-yl)benzonitrile.
What is the SMILES notation for 4-methyl-2-(1-methylazetidin-2-yl)benzonitrile?
The canonical SMILES for 4-methyl-2-(1-methylazetidin-2-yl)benzonitrile is Cc1ccc(C#N)c(C2CCN2C)c1.
What is the InChIKey of 4-methyl-2-(1-methylazetidin-2-yl)benzonitrile?
The InChIKey is RYWLRSNMCXJRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-3-4-10(8-13)11(7-9)12-5-6-14(12)2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 4-methyl-2-(1-methylazetidin-2-yl)benzonitrile?
4-methyl-2-(1-methylazetidin-2-yl)benzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylazetidin-2-yl)benzonitrile is sourced from PubChem (CID 151802336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).