2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile

C15H18N2O2 — CID 82132494

IUPAC2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile
SMILESCc1ccccc1C(C#N)CC(=O)N1CCOCC1
InChIInChI=1S/C15H18N2O2/c1-12-4-2-3-5-14(12)13(11-16)10-15(18)17-6-8-19-9-7-17/h2-5,13H,6-10H2,1H3
InChIKeyGUIHYZXEJSZMDK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.85
Rot. Bonds3

About 2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile

2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile (PubChem CID 82132494) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile
PubChem CID82132494
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile
SMILESCc1ccccc1C(C#N)CC(=O)N1CCOCC1
InChIInChI=1S/C15H18N2O2/c1-12-4-2-3-5-14(12)13(11-16)10-15(18)17-6-8-19-9-7-17/h2-5,13H,6-10H2,1H3
InChIKeyGUIHYZXEJSZMDK-UHFFFAOYSA-N
XLogP1.85
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81374136
2-methyl-4-morpholin-4-yl-4-oxobutanenitrile
CID 82111559
3-(2-methylphenyl)-1-piperidin-1-ylbutan-1-one
CID 71930972
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
4-[2-cyano-2-(2-methylphenyl)ethyl]benzoic acid
CID 82139680
(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 40595933
(3S)-3-(2-hydroxy-4-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 740584
3-(2-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-morpholin-4-ylpropan-1-one
CID 42783751
2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
CID 113352413
(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 162422305
(3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 1331148
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81379809

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile?
The IUPAC name of 2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile (CID 82132494) is 2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile.
What is the SMILES notation for 2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile?
The canonical SMILES for 2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile is Cc1ccccc1C(C#N)CC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile?
The InChIKey is GUIHYZXEJSZMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-12-4-2-3-5-14(12)13(11-16)10-15(18)17-6-8-19-9-7-17/h2-5,13H,6-10H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile?
2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile has a molecular weight of 258.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-morpholin-4-yl-4-oxobutanenitrile is sourced from PubChem (CID 82132494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).