4-morpholin-4-ylbut-3-enenitrile

C8H12N2O — CID 141300723

IUPAC4-morpholin-4-ylbut-3-enenitrile
SMILESN#CCC=CN1CCOCC1
InChIInChI=1S/C8H12N2O/c9-3-1-2-4-10-5-7-11-8-6-10/h2,4H,1,5-8H2
InChIKeyAJMSCBJJVGQTPR-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.75
Rot. Bonds2

About 4-morpholin-4-ylbut-3-enenitrile

4-morpholin-4-ylbut-3-enenitrile (PubChem CID 141300723) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-morpholin-4-ylbut-3-enenitrile.

Molecular Properties

Compound Name4-morpholin-4-ylbut-3-enenitrile
PubChem CID141300723
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-morpholin-4-ylbut-3-enenitrile
SMILESN#CCC=CN1CCOCC1
InChIInChI=1S/C8H12N2O/c9-3-1-2-4-10-5-7-11-8-6-10/h2,4H,1,5-8H2
InChIKeyAJMSCBJJVGQTPR-UHFFFAOYSA-N
XLogP0.75
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbut-3-enenitrile?
The IUPAC name of 4-morpholin-4-ylbut-3-enenitrile (CID 141300723) is 4-morpholin-4-ylbut-3-enenitrile.
What is the SMILES notation for 4-morpholin-4-ylbut-3-enenitrile?
The canonical SMILES for 4-morpholin-4-ylbut-3-enenitrile is N#CCC=CN1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylbut-3-enenitrile?
The InChIKey is AJMSCBJJVGQTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-3-1-2-4-10-5-7-11-8-6-10/h2,4H,1,5-8H2.
What are the key properties of 4-morpholin-4-ylbut-3-enenitrile?
4-morpholin-4-ylbut-3-enenitrile has a molecular weight of 152.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbut-3-enenitrile is sourced from PubChem (CID 141300723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).