2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile

C13H16N2O — CID 3244987

IUPAC2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile
SMILESCc1ccc(C(C#N)N2CCOCC2)cc1
InChIInChI=1S/C13H16N2O/c1-11-2-4-12(5-3-11)13(10-14)15-6-8-16-9-7-15/h2-5,13H,6-9H2,1H3
InChIKeyIWXFEKAXNRNYTE-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.89
Rot. Bonds2

About 2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile

2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile (PubChem CID 3244987) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile
PubChem CID3244987
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile
SMILESCc1ccc(C(C#N)N2CCOCC2)cc1
InChIInChI=1S/C13H16N2O/c1-11-2-4-12(5-3-11)13(10-14)15-6-8-16-9-7-15/h2-5,13H,6-9H2,1H3
InChIKeyIWXFEKAXNRNYTE-UHFFFAOYSA-N
XLogP1.89
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile (CID 3244987) is 2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile is Cc1ccc(C(C#N)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile?
The InChIKey is IWXFEKAXNRNYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11-2-4-12(5-3-11)13(10-14)15-6-8-16-9-7-15/h2-5,13H,6-9H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile?
2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile has a molecular weight of 216.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 3244987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).