(E)-2-morpholin-4-ylpent-3-enenitrile

C9H14N2O — CID 12781847

IUPAC(E)-2-morpholin-4-ylpent-3-enenitrile
SMILESC/C=C/C(C#N)N1CCOCC1
InChIInChI=1S/C9H14N2O/c1-2-3-9(8-10)11-4-6-12-7-5-11/h2-3,9H,4-7H2,1H3/b3-2+
InChIKeyDNYJYXITDVJSCC-NSCUHMNNSA-N
MW166.22 g/mol
LogP0.79
Rot. Bonds2

About (E)-2-morpholin-4-ylpent-3-enenitrile

(E)-2-morpholin-4-ylpent-3-enenitrile (PubChem CID 12781847) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (E)-2-morpholin-4-ylpent-3-enenitrile.

Molecular Properties

Compound Name(E)-2-morpholin-4-ylpent-3-enenitrile
PubChem CID12781847
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(E)-2-morpholin-4-ylpent-3-enenitrile
SMILESC/C=C/C(C#N)N1CCOCC1
InChIInChI=1S/C9H14N2O/c1-2-3-9(8-10)11-4-6-12-7-5-11/h2-3,9H,4-7H2,1H3/b3-2+
InChIKeyDNYJYXITDVJSCC-NSCUHMNNSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-morpholin-4-ylpent-3-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimorpholin-4-ylacetonitrile
CID 12502867
(2R)-3-methyl-2-morpholin-4-ylbutanenitrile
CID 92787269
(3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile
CID 12781848
3,4-dimethyl-2-morpholin-4-ylpentanenitrile
CID 130735318
2-(aziridin-1-yl)but-3-enenitrile
CID 87764712
(2R)-2-morpholin-4-ylbutanedinitrile
CID 92856315
methyl hydrogen sulfate;2-morpholin-4-ylpropanenitrile
CID 87840801
(2S)-2-methyl-3-morpholin-4-ylpropanenitrile
CID 39161429
2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminomethyl]propanedinitrile
CID 7481681
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
4-[(2R)-but-3-yn-2-yl]morpholine
CID 129322300
2-morpholin-4-yl-2-(oxolan-3-yl)acetonitrile
CID 43802974

Frequently Asked Questions

What is the IUPAC name of (E)-2-morpholin-4-ylpent-3-enenitrile?
The IUPAC name of (E)-2-morpholin-4-ylpent-3-enenitrile (CID 12781847) is (E)-2-morpholin-4-ylpent-3-enenitrile.
What is the SMILES notation for (E)-2-morpholin-4-ylpent-3-enenitrile?
The canonical SMILES for (E)-2-morpholin-4-ylpent-3-enenitrile is C/C=C/C(C#N)N1CCOCC1.
What is the InChIKey of (E)-2-morpholin-4-ylpent-3-enenitrile?
The InChIKey is DNYJYXITDVJSCC-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-3-9(8-10)11-4-6-12-7-5-11/h2-3,9H,4-7H2,1H3/b3-2+.
What are the key properties of (E)-2-morpholin-4-ylpent-3-enenitrile?
(E)-2-morpholin-4-ylpent-3-enenitrile has a molecular weight of 166.22 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-morpholin-4-ylpent-3-enenitrile is sourced from PubChem (CID 12781847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).