(E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile

C13H14N2O — CID 10846305

IUPAC(E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile
SMILESN#C/C=C(\c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H14N2O/c14-7-6-13(12-4-2-1-3-5-12)15-8-10-16-11-9-15/h1-6H,8-11H2/b13-6+
InChIKeyVVTCOHQQJGTSCA-AWNIVKPZSA-N
MW214.27 g/mol
LogP1.88
Rot. Bonds2

About (E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile

(E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile (PubChem CID 10846305) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile
PubChem CID10846305
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile
SMILESN#C/C=C(\c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H14N2O/c14-7-6-13(12-4-2-1-3-5-12)15-8-10-16-11-9-15/h1-6H,8-11H2/b13-6+
InChIKeyVVTCOHQQJGTSCA-AWNIVKPZSA-N
XLogP1.88
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.88
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

(E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enenitrile
CID 10655579
3,3-dimorpholin-4-ylprop-2-enenitrile
CID 121217955
(E)-3-(azepan-1-yl)-3-(4-fluorophenyl)prop-2-enenitrile
CID 97378367
1-(2-fluorophenyl)-3-morpholin-4-yl-3-phenylprop-2-en-1-one
CID 4963082
4-[(1Z)-1,3-bis(4-phenylphenyl)buta-1,3-dienyl]morpholine
CID 122228206
3-(2-methylpyrrolidin-1-yl)-3-phenylprop-2-enenitrile
CID 164683615
1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea
CID 134915010
2-morpholin-4-yl-4-phenylbut-2-enenitrile
CID 586485
(Z)-3-amino-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enenitrile
CID 59504596
(3-morpholin-4-yl-1,3-diphenylpropa-1,2-dienyl)-triphenylsilane
CID 14691547
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923
3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile
CID 892246

Frequently Asked Questions

What is the IUPAC name of (E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile?
The IUPAC name of (E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile (CID 10846305) is (E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile.
What is the SMILES notation for (E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile?
The canonical SMILES for (E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile is N#C/C=C(\c1ccccc1)N1CCOCC1.
What is the InChIKey of (E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile?
The InChIKey is VVTCOHQQJGTSCA-AWNIVKPZSA-N. The full InChI is InChI=1S/C13H14N2O/c14-7-6-13(12-4-2-1-3-5-12)15-8-10-16-11-9-15/h1-6H,8-11H2/b13-6+.
What are the key properties of (E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile?
(E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile has a molecular weight of 214.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile is sourced from PubChem (CID 10846305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).