2-morpholin-4-ylpent-2-enenitrile

C9H14N2O — CID 140785257

IUPAC2-morpholin-4-ylpent-2-enenitrile
SMILESCCC=C(C#N)N1CCOCC1
InChIInChI=1S/C9H14N2O/c1-2-3-9(8-10)11-4-6-12-7-5-11/h3H,2,4-7H2,1H3
InChIKeyVUCADQPLAZHWRK-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.14
Rot. Bonds2

About 2-morpholin-4-ylpent-2-enenitrile

2-morpholin-4-ylpent-2-enenitrile (PubChem CID 140785257) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-morpholin-4-ylpent-2-enenitrile.

Molecular Properties

Compound Name2-morpholin-4-ylpent-2-enenitrile
PubChem CID140785257
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-morpholin-4-ylpent-2-enenitrile
SMILESCCC=C(C#N)N1CCOCC1
InChIInChI=1S/C9H14N2O/c1-2-3-9(8-10)11-4-6-12-7-5-11/h3H,2,4-7H2,1H3
InChIKeyVUCADQPLAZHWRK-UHFFFAOYSA-N
XLogP1.14
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.14
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-ylpent-2-enenitrile?
The IUPAC name of 2-morpholin-4-ylpent-2-enenitrile (CID 140785257) is 2-morpholin-4-ylpent-2-enenitrile.
What is the SMILES notation for 2-morpholin-4-ylpent-2-enenitrile?
The canonical SMILES for 2-morpholin-4-ylpent-2-enenitrile is CCC=C(C#N)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylpent-2-enenitrile?
The InChIKey is VUCADQPLAZHWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-3-9(8-10)11-4-6-12-7-5-11/h3H,2,4-7H2,1H3.
What are the key properties of 2-morpholin-4-ylpent-2-enenitrile?
2-morpholin-4-ylpent-2-enenitrile has a molecular weight of 166.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylpent-2-enenitrile is sourced from PubChem (CID 140785257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).