3,3-dimorpholin-4-ylprop-2-enenitrile

C11H17N3O2 — CID 121217955

IUPAC3,3-dimorpholin-4-ylprop-2-enenitrile
SMILESN#CC=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H17N3O2/c12-2-1-11(13-3-7-15-8-4-13)14-5-9-16-10-6-14/h1H,3-10H2
InChIKeyCRGBJTFIVXYPSH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.02
Rot. Bonds2

About 3,3-dimorpholin-4-ylprop-2-enenitrile

3,3-dimorpholin-4-ylprop-2-enenitrile (PubChem CID 121217955) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3,3-dimorpholin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name3,3-dimorpholin-4-ylprop-2-enenitrile
PubChem CID121217955
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3,3-dimorpholin-4-ylprop-2-enenitrile
SMILESN#CC=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H17N3O2/c12-2-1-11(13-3-7-15-8-4-13)14-5-9-16-10-6-14/h1H,3-10H2
InChIKeyCRGBJTFIVXYPSH-UHFFFAOYSA-N
XLogP0.02
TPSA48.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,3-dimorpholin-4-ylprop-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

Related Compounds

3-morpholin-4-ylhex-2-enenitrile
CID 90834629
(E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile
CID 10846305
4-[(E)-2-fluoro-1-pyrrolidin-1-ylethenyl]morpholine
CID 135169406
1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea
CID 134915010
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
4-penta-1,2,4-trien-3-ylmorpholine
CID 144961397
(Z)-2-(morpholine-4-carbonyl)-3-(prop-2-enylamino)prop-2-enenitrile
CID 108843747
2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 112723430
3-[[(Z)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]amino]propanoic acid
CID 108843555
(Z)-2-(morpholine-4-carbonyl)-3-(2-morpholin-4-ylethylamino)prop-2-enenitrile
CID 108843675
[fluoro(morpholin-4-yl)methylidene]-dimethylazanium
CID 24853903
methyl morpholine-4-carboxylate
CID 12575354

Frequently Asked Questions

What is the IUPAC name of 3,3-dimorpholin-4-ylprop-2-enenitrile?
The IUPAC name of 3,3-dimorpholin-4-ylprop-2-enenitrile (CID 121217955) is 3,3-dimorpholin-4-ylprop-2-enenitrile.
What is the SMILES notation for 3,3-dimorpholin-4-ylprop-2-enenitrile?
The canonical SMILES for 3,3-dimorpholin-4-ylprop-2-enenitrile is N#CC=C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 3,3-dimorpholin-4-ylprop-2-enenitrile?
The InChIKey is CRGBJTFIVXYPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-2-1-11(13-3-7-15-8-4-13)14-5-9-16-10-6-14/h1H,3-10H2.
What are the key properties of 3,3-dimorpholin-4-ylprop-2-enenitrile?
3,3-dimorpholin-4-ylprop-2-enenitrile has a molecular weight of 223.28 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimorpholin-4-ylprop-2-enenitrile is sourced from PubChem (CID 121217955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).