2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile

C15H18N2O3 — CID 35026256

IUPAC2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile
SMILESCC1(C)CN(C(=O)COc2ccccc2C#N)CCO1
InChIInChI=1S/C15H18N2O3/c1-15(2)11-17(7-8-20-15)14(18)10-19-13-6-4-3-5-12(13)9-16/h3-6H,7-8,10-11H2,1-2H3
InChIKeyCCCLHZDEHZESLS-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.57
Rot. Bonds3

About 2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile

2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile (PubChem CID 35026256) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile
PubChem CID35026256
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile
SMILESCC1(C)CN(C(=O)COc2ccccc2C#N)CCO1
InChIInChI=1S/C15H18N2O3/c1-15(2)11-17(7-8-20-15)14(18)10-19-13-6-4-3-5-12(13)9-16/h3-6H,7-8,10-11H2,1-2H3
InChIKeyCCCLHZDEHZESLS-UHFFFAOYSA-N
XLogP1.57
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone
CID 86981388
2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 129485679
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533289
2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 2707510
2-[2-oxo-2-(1,4-thiazepan-4-yl)ethoxy]benzonitrile
CID 56813489
2-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 93044931
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 102738509
2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 51165264
2-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 115746379
2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
CID 51165397
2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 2634554
2-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethoxy]benzonitrile
CID 31921669

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile?
The IUPAC name of 2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile (CID 35026256) is 2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile?
The canonical SMILES for 2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile is CC1(C)CN(C(=O)COc2ccccc2C#N)CCO1.
What is the InChIKey of 2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile?
The InChIKey is CCCLHZDEHZESLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2)11-17(7-8-20-15)14(18)10-19-13-6-4-3-5-12(13)9-16/h3-6H,7-8,10-11H2,1-2H3.
What are the key properties of 2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile?
2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile has a molecular weight of 274.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 35026256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).