2-(azetidin-3-ylmethoxy)benzonitrile

C11H12N2O — CID 67355381

IUPAC2-(azetidin-3-ylmethoxy)benzonitrile
SMILESN#Cc1ccccc1OCC1CNC1
InChIInChI=1S/C11H12N2O/c12-5-10-3-1-2-4-11(10)14-8-9-6-13-7-9/h1-4,9,13H,6-8H2
InChIKeyFQMXFYCGFUBTOY-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.16
Rot. Bonds3

About 2-(azetidin-3-ylmethoxy)benzonitrile

2-(azetidin-3-ylmethoxy)benzonitrile (PubChem CID 67355381) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name2-(azetidin-3-ylmethoxy)benzonitrile
PubChem CID67355381
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(azetidin-3-ylmethoxy)benzonitrile
SMILESN#Cc1ccccc1OCC1CNC1
InChIInChI=1S/C11H12N2O/c12-5-10-3-1-2-4-11(10)14-8-9-6-13-7-9/h1-4,9,13H,6-8H2
InChIKeyFQMXFYCGFUBTOY-UHFFFAOYSA-N
XLogP1.16
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
3-[(2-phenylmethoxyphenoxy)methyl]azetidine
CID 164512457
3-[(2-tert-butylphenoxy)methyl]azetidine
CID 59577199
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075810
2-(cyanomethoxy)benzonitrile
CID 4156437
2-[[4-(4-methoxyphenyl)-5-methylpiperidin-3-yl]methoxy]benzonitrile
CID 175703047
5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile
CID 63673481
2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134244
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
2-(methoxymethoxy)benzonitrile
CID 10352018
2-(3-chloropropoxy)benzonitrile
CID 14407183

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethoxy)benzonitrile?
The IUPAC name of 2-(azetidin-3-ylmethoxy)benzonitrile (CID 67355381) is 2-(azetidin-3-ylmethoxy)benzonitrile.
What is the SMILES notation for 2-(azetidin-3-ylmethoxy)benzonitrile?
The canonical SMILES for 2-(azetidin-3-ylmethoxy)benzonitrile is N#Cc1ccccc1OCC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethoxy)benzonitrile?
The InChIKey is FQMXFYCGFUBTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-5-10-3-1-2-4-11(10)14-8-9-6-13-7-9/h1-4,9,13H,6-8H2.
What are the key properties of 2-(azetidin-3-ylmethoxy)benzonitrile?
2-(azetidin-3-ylmethoxy)benzonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethoxy)benzonitrile is sourced from PubChem (CID 67355381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).