3-morpholin-4-ylhex-2-enenitrile

C10H16N2O — CID 90834629

IUPAC3-morpholin-4-ylhex-2-enenitrile
SMILESCCCC(=CC#N)N1CCOCC1
InChIInChI=1S/C10H16N2O/c1-2-3-10(4-5-11)12-6-8-13-9-7-12/h4H,2-3,6-9H2,1H3
InChIKeyZCABVKINWICVLE-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.53
Rot. Bonds3

About 3-morpholin-4-ylhex-2-enenitrile

3-morpholin-4-ylhex-2-enenitrile (PubChem CID 90834629) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-morpholin-4-ylhex-2-enenitrile.

Molecular Properties

Compound Name3-morpholin-4-ylhex-2-enenitrile
PubChem CID90834629
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-morpholin-4-ylhex-2-enenitrile
SMILESCCCC(=CC#N)N1CCOCC1
InChIInChI=1S/C10H16N2O/c1-2-3-10(4-5-11)12-6-8-13-9-7-12/h4H,2-3,6-9H2,1H3
InChIKeyZCABVKINWICVLE-UHFFFAOYSA-N
XLogP1.53
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.53
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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Related Compounds

4-[(E)-hept-3-en-4-yl]morpholine
CID 6513160
3,3-dimorpholin-4-ylprop-2-enenitrile
CID 121217955
4-[(E)-non-4-en-5-yl]morpholine
CID 12725345
(E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile
CID 10846305
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736
N-propylmorpholine-4-carboxamide
CID 3410822
butane;N-methylmorpholine-4-carboxamide;propane
CID 143336598
N-(morpholine-4-carboximidoyl)butanamide
CID 154044270
2-methyl-2-(1,4-oxazepane-4-carbonyl)butanenitrile
CID 114291464
[[(1-cyano-2-ethoxy-2-oxoethyl)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium
CID 175008670
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
1-morpholin-4-yldodecane-1-thione
CID 10379215

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylhex-2-enenitrile?
The IUPAC name of 3-morpholin-4-ylhex-2-enenitrile (CID 90834629) is 3-morpholin-4-ylhex-2-enenitrile.
What is the SMILES notation for 3-morpholin-4-ylhex-2-enenitrile?
The canonical SMILES for 3-morpholin-4-ylhex-2-enenitrile is CCCC(=CC#N)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylhex-2-enenitrile?
The InChIKey is ZCABVKINWICVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-10(4-5-11)12-6-8-13-9-7-12/h4H,2-3,6-9H2,1H3.
What are the key properties of 3-morpholin-4-ylhex-2-enenitrile?
3-morpholin-4-ylhex-2-enenitrile has a molecular weight of 180.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylhex-2-enenitrile is sourced from PubChem (CID 90834629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).