2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile

C15H20N2O2 — CID 153410930

IUPAC2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile
SMILESCOCC(COC)N1CC(c2ccccc2C#N)C1
InChIInChI=1S/C15H20N2O2/c1-18-10-14(11-19-2)17-8-13(9-17)15-6-4-3-5-12(15)7-16/h3-6,13-14H,8-11H2,1-2H3
InChIKeyLEEQYGNTRDARIF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.62
Rot. Bonds6

About 2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile

2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile (PubChem CID 153410930) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile.

Molecular Properties

Compound Name2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile
PubChem CID153410930
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile
SMILESCOCC(COC)N1CC(c2ccccc2C#N)C1
InChIInChI=1S/C15H20N2O2/c1-18-10-14(11-19-2)17-8-13(9-17)15-6-4-3-5-12(15)7-16/h3-6,13-14H,8-11H2,1-2H3
InChIKeyLEEQYGNTRDARIF-UHFFFAOYSA-N
XLogP1.62
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile?
The IUPAC name of 2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile (CID 153410930) is 2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile.
What is the SMILES notation for 2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile?
The canonical SMILES for 2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile is COCC(COC)N1CC(c2ccccc2C#N)C1.
What is the InChIKey of 2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile?
The InChIKey is LEEQYGNTRDARIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-10-14(11-19-2)17-8-13(9-17)15-6-4-3-5-12(15)7-16/h3-6,13-14H,8-11H2,1-2H3.
What are the key properties of 2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile?
2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dimethoxypropan-2-yl)azetidin-3-yl]benzonitrile is sourced from PubChem (CID 153410930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).