(Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile

C17H16N2O2 — CID 802293

IUPAC(Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCOCC2)o1)c1ccccc1
InChIInChI=1S/C17H16N2O2/c18-13-15(14-4-2-1-3-5-14)12-16-6-7-17(21-16)19-8-10-20-11-9-19/h1-7,12H,8-11H2/b15-12+
InChIKeyCGIVHWUJFVEVKK-NTCAYCPXSA-N
MW280.33 g/mol
LogP3.18
Rot. Bonds3

About (Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile

(Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile (PubChem CID 802293) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile
PubChem CID802293
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCOCC2)o1)c1ccccc1
InChIInChI=1S/C17H16N2O2/c18-13-15(14-4-2-1-3-5-14)12-16-6-7-17(21-16)19-8-10-20-11-9-19/h1-7,12H,8-11H2/b15-12+
InChIKeyCGIVHWUJFVEVKK-NTCAYCPXSA-N
XLogP3.18
TPSA49.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

3-[5-(1-Azepanyl)-2-furyl]-2-(4-chlorophenyl)acrylonitrile
CID 2201553
(E)-2-(Morpholine-4-carbonyl)-3-(5-morpholin-4-yl-furan-2-yl)-acrylonitrile
CID 839237
(5E)-3-[(4-fluorophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5791561
(E)-3-(5-Morpholin-4-yl-furan-2-yl)-2-p-tolyl-acrylonitrile
CID 2301821
(Z)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-phenylprop-2-enamide
CID 5727752
2-cyano-N-(4-hydroxyphenyl)-3-[5-(4-morpholinyl)-2-furyl]acrylamide
CID 879782
(2Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
CID 921800
(Z)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
CID 929419
(Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
CID 929467
2-(4-Chloro-phenyl)-3-(5-morpholin-4-yl-furan-2-yl)-acrylonitrile
CID 1918048
(E)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 1971752
(E)-3-[5-(azepan-1-yl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 2227134

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile (CID 802293) is (Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile is N#C/C(=C\c1ccc(N2CCOCC2)o1)c1ccccc1.
What is the InChIKey of (Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile?
The InChIKey is CGIVHWUJFVEVKK-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-13-15(14-4-2-1-3-5-14)12-16-6-7-17(21-16)19-8-10-20-11-9-19/h1-7,12H,8-11H2/b15-12+.
What are the key properties of (Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile?
(Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile has a molecular weight of 280.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-morpholin-4-ylfuran-2-yl)-2-phenylprop-2-enenitrile is sourced from PubChem (CID 802293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).