3-morpholin-4-ylprop-2-enenitrile

C7H10N2O — CID 54263847

IUPAC3-morpholin-4-ylprop-2-enenitrile
SMILESN#CC=CN1CCOCC1
InChIInChI=1S/C7H10N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3H,4-7H2
InChIKeyRFJPLJPQYMNNEC-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.36
Rot. Bonds1

About 3-morpholin-4-ylprop-2-enenitrile

3-morpholin-4-ylprop-2-enenitrile (PubChem CID 54263847) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-morpholin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name3-morpholin-4-ylprop-2-enenitrile
PubChem CID54263847
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-morpholin-4-ylprop-2-enenitrile
SMILESN#CC=CN1CCOCC1
InChIInChI=1S/C7H10N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3H,4-7H2
InChIKeyRFJPLJPQYMNNEC-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 3-morpholin-4-ylprop-2-enenitrile?
The IUPAC name of 3-morpholin-4-ylprop-2-enenitrile (CID 54263847) is 3-morpholin-4-ylprop-2-enenitrile.
What is the SMILES notation for 3-morpholin-4-ylprop-2-enenitrile?
The canonical SMILES for 3-morpholin-4-ylprop-2-enenitrile is N#CC=CN1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylprop-2-enenitrile?
The InChIKey is RFJPLJPQYMNNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3H,4-7H2.
What are the key properties of 3-morpholin-4-ylprop-2-enenitrile?
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 3-morpholin-4-ylprop-2-enenitrile is sourced from PubChem (CID 54263847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).