2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile

C10H11N3O — CID 58175153

IUPAC2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile
SMILESN#CC(C#N)=C/C=C/N1CCOCC1
InChIInChI=1S/C10H11N3O/c11-8-10(9-12)2-1-3-13-4-6-14-7-5-13/h1-3H,4-7H2/b3-1+
InChIKeyUSJXPXDHKXKFAX-HNQUOIGGSA-N
MW189.22 g/mol
LogP0.81
Rot. Bonds2

About 2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile

2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile (PubChem CID 58175153) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile
PubChem CID58175153
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile
SMILESN#CC(C#N)=C/C=C/N1CCOCC1
InChIInChI=1S/C10H11N3O/c11-8-10(9-12)2-1-3-13-4-6-14-7-5-13/h1-3H,4-7H2/b3-1+
InChIKeyUSJXPXDHKXKFAX-HNQUOIGGSA-N
XLogP0.81
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile?
The IUPAC name of 2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile (CID 58175153) is 2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile.
What is the SMILES notation for 2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile?
The canonical SMILES for 2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile is N#CC(C#N)=C/C=C/N1CCOCC1.
What is the InChIKey of 2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile?
The InChIKey is USJXPXDHKXKFAX-HNQUOIGGSA-N. The full InChI is InChI=1S/C10H11N3O/c11-8-10(9-12)2-1-3-13-4-6-14-7-5-13/h1-3H,4-7H2/b3-1+.
What are the key properties of 2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile?
2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile has a molecular weight of 189.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile is sourced from PubChem (CID 58175153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).