2-morpholin-4-yl-4-phenylbut-2-enenitrile

C14H16N2O — CID 586485

IUPAC2-morpholin-4-yl-4-phenylbut-2-enenitrile
SMILESN#CC(=CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H16N2O/c15-12-14(16-8-10-17-11-9-16)7-6-13-4-2-1-3-5-13/h1-5,7H,6,8-11H2
InChIKeyVIFHXFLUQBDBID-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.97
Rot. Bonds3

About 2-morpholin-4-yl-4-phenylbut-2-enenitrile

2-morpholin-4-yl-4-phenylbut-2-enenitrile (PubChem CID 586485) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-phenylbut-2-enenitrile.

Molecular Properties

Compound Name2-morpholin-4-yl-4-phenylbut-2-enenitrile
PubChem CID586485
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-morpholin-4-yl-4-phenylbut-2-enenitrile
SMILESN#CC(=CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H16N2O/c15-12-14(16-8-10-17-11-9-16)7-6-13-4-2-1-3-5-13/h1-5,7H,6,8-11H2
InChIKeyVIFHXFLUQBDBID-UHFFFAOYSA-N
XLogP1.97
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.97
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

(Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843721
(Z)-N-morpholin-4-yl-2-phenylethanimine
CID 137320841
(E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile
CID 10846305
(Z)-3-(4-benzylpiperidin-1-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843608
1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea
CID 134915010
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
2-(morpholine-4-carbonyl)-3-(4-phenylmethoxyanilino)prop-2-enenitrile
CID 4603539
2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile
CID 82081834
4-(4-benzylphenyl)morpholine
CID 11514364
2-morpholin-4-ylbenzonitrile
CID 2737012
(Z)-3-(3,5-diiodo-4-phenylmethoxyphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 126098442
3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile
CID 892246

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-phenylbut-2-enenitrile?
The IUPAC name of 2-morpholin-4-yl-4-phenylbut-2-enenitrile (CID 586485) is 2-morpholin-4-yl-4-phenylbut-2-enenitrile.
What is the SMILES notation for 2-morpholin-4-yl-4-phenylbut-2-enenitrile?
The canonical SMILES for 2-morpholin-4-yl-4-phenylbut-2-enenitrile is N#CC(=CCc1ccccc1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-4-phenylbut-2-enenitrile?
The InChIKey is VIFHXFLUQBDBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-12-14(16-8-10-17-11-9-16)7-6-13-4-2-1-3-5-13/h1-5,7H,6,8-11H2.
What are the key properties of 2-morpholin-4-yl-4-phenylbut-2-enenitrile?
2-morpholin-4-yl-4-phenylbut-2-enenitrile has a molecular weight of 228.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-phenylbut-2-enenitrile is sourced from PubChem (CID 586485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).