(E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile

C9H14N2O — CID 10511269

IUPAC(E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile
SMILESCC1CN(/C=C/C#N)CC(C)O1
InChIInChI=1S/C9H14N2O/c1-8-6-11(5-3-4-10)7-9(2)12-8/h3,5,8-9H,6-7H2,1-2H3/b5-3+
InChIKeyZRNZRUIOXOTSEH-HWKANZROSA-N
MW166.22 g/mol
LogP1.13
Rot. Bonds1

About (E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile

(E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile (PubChem CID 10511269) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile
PubChem CID10511269
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile
SMILESCC1CN(/C=C/C#N)CC(C)O1
InChIInChI=1S/C9H14N2O/c1-8-6-11(5-3-4-10)7-9(2)12-8/h3,5,8-9H,6-7H2,1-2H3/b5-3+
InChIKeyZRNZRUIOXOTSEH-HWKANZROSA-N
XLogP1.13
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile?
The IUPAC name of (E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile (CID 10511269) is (E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile is CC1CN(/C=C/C#N)CC(C)O1.
What is the InChIKey of (E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile?
The InChIKey is ZRNZRUIOXOTSEH-HWKANZROSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8-6-11(5-3-4-10)7-9(2)12-8/h3,5,8-9H,6-7H2,1-2H3/b5-3+.
What are the key properties of (E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile?
(E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile has a molecular weight of 166.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dimethylmorpholin-4-yl)prop-2-enenitrile is sourced from PubChem (CID 10511269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).