(E)-3-morpholin-4-ylprop-2-enenitrile

C7H10N2O — CID 13139284

IUPAC(E)-3-morpholin-4-ylprop-2-enenitrile
SMILESN#C/C=C/N1CCOCC1
InChIInChI=1S/C7H10N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3H,4-7H2/b3-1+
InChIKeyRFJPLJPQYMNNEC-HNQUOIGGSA-N
MW138.17 g/mol
LogP0.36
Rot. Bonds1

About (E)-3-morpholin-4-ylprop-2-enenitrile

(E)-3-morpholin-4-ylprop-2-enenitrile (PubChem CID 13139284) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (E)-3-morpholin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-morpholin-4-ylprop-2-enenitrile
PubChem CID13139284
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(E)-3-morpholin-4-ylprop-2-enenitrile
SMILESN#C/C=C/N1CCOCC1
InChIInChI=1S/C7H10N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3H,4-7H2/b3-1+
InChIKeyRFJPLJPQYMNNEC-HNQUOIGGSA-N
XLogP0.36
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-morpholin-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

4-[(1Z)-prop-1-en-1-yl]morpholine
CID 643773
2-Morpholin-4-yl-acrylnitrile
CID 556674
morpholine, 4-[(1E)-1-propenyl]-
CID 637918
(Z)-3-amino-3-morpholin-4-ylprop-2-enenitrile
CID 11768775
(2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile
CID 14086801
3-Amino-3-morpholinoacrylonitrile
CID 2763631
(E)-3-amino-3-morpholin-4-ylprop-2-enenitrile
CID 5706806
(E)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile
CID 22714278
3-Morpholinoacrylonitrile
CID 54263847
4-(Prop-1-en-1-yl)morpholine
CID 54425487
3-(Dimethylamino)-2-morpholin-4-ylprop-2-enenitrile
CID 54524652
(Z)-3-(dimethylamino)-2-morpholin-4-ylprop-2-enenitrile
CID 69906710

Frequently Asked Questions

What is the IUPAC name of (E)-3-morpholin-4-ylprop-2-enenitrile?
The IUPAC name of (E)-3-morpholin-4-ylprop-2-enenitrile (CID 13139284) is (E)-3-morpholin-4-ylprop-2-enenitrile.
What is the SMILES notation for (E)-3-morpholin-4-ylprop-2-enenitrile?
The canonical SMILES for (E)-3-morpholin-4-ylprop-2-enenitrile is N#C/C=C/N1CCOCC1.
What is the InChIKey of (E)-3-morpholin-4-ylprop-2-enenitrile?
The InChIKey is RFJPLJPQYMNNEC-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H10N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3H,4-7H2/b3-1+.
What are the key properties of (E)-3-morpholin-4-ylprop-2-enenitrile?
(E)-3-morpholin-4-ylprop-2-enenitrile has a molecular weight of 138.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-morpholin-4-ylprop-2-enenitrile is sourced from PubChem (CID 13139284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).