2-morpholin-4-ylprop-2-enenitrile

C7H10N2O — CID 556674

IUPAC2-morpholin-4-ylprop-2-enenitrile
SMILESC=C(C#N)N1CCOCC1
InChIInChI=1S/C7H10N2O/c1-7(6-8)9-2-4-10-5-3-9/h1-5H2
InChIKeyJLYPZFNYGICSHK-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.36
Rot. Bonds1

About 2-morpholin-4-ylprop-2-enenitrile

2-morpholin-4-ylprop-2-enenitrile (PubChem CID 556674) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-morpholin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name2-morpholin-4-ylprop-2-enenitrile
PubChem CID556674
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-morpholin-4-ylprop-2-enenitrile
SMILESC=C(C#N)N1CCOCC1
InChIInChI=1S/C7H10N2O/c1-7(6-8)9-2-4-10-5-3-9/h1-5H2
InChIKeyJLYPZFNYGICSHK-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylprop-2-enenitrile?
The IUPAC name of 2-morpholin-4-ylprop-2-enenitrile (CID 556674) is 2-morpholin-4-ylprop-2-enenitrile.
What is the SMILES notation for 2-morpholin-4-ylprop-2-enenitrile?
The canonical SMILES for 2-morpholin-4-ylprop-2-enenitrile is C=C(C#N)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylprop-2-enenitrile?
The InChIKey is JLYPZFNYGICSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-7(6-8)9-2-4-10-5-3-9/h1-5H2.
What are the key properties of 2-morpholin-4-ylprop-2-enenitrile?
2-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 2-morpholin-4-ylprop-2-enenitrile is sourced from PubChem (CID 556674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).