(E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile

C18H18N2O2 — CID 2301821

IUPAC(E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
SMILESCc1ccc(/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1
InChIInChI=1S/C18H18N2O2/c1-14-2-4-15(5-3-14)16(13-19)12-17-6-7-18(22-17)20-8-10-21-11-9-20/h2-7,12H,8-11H2,1H3/b16-12-
InChIKeyMNGQDDDZOQOAOL-VBKFSLOCSA-N
MW294.35 g/mol
LogP3.49
Rot. Bonds3

About (E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile

(E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile (PubChem CID 2301821) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
PubChem CID2301821
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
SMILESCc1ccc(/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1
InChIInChI=1S/C18H18N2O2/c1-14-2-4-15(5-3-14)16(13-19)12-17-6-7-18(22-17)20-8-10-21-11-9-20/h2-7,12H,8-11H2,1H3/b16-12-
InChIKeyMNGQDDDZOQOAOL-VBKFSLOCSA-N
XLogP3.49
TPSA49.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.49
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

(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
(Z)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-phenylprop-2-enamide
CID 5727752
(Z)-3-(5-Morpholin-4-yl-furan-2-yl)-2-phenyl-acrylonitrile
CID 802293
(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
2-(3-Fluorophenyl)-3-[5-(1-piperidinyl)-2-furyl]acrylonitrile
CID 2228772
N-(3-cyano-4,5-diphenyl-2-furyl)-2-(4-morpholinyl)acetamide
CID 2235240

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
The IUPAC name of (E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile (CID 2301821) is (E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
The canonical SMILES for (E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile is Cc1ccc(/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
The InChIKey is MNGQDDDZOQOAOL-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14-2-4-15(5-3-14)16(13-19)12-17-6-7-18(22-17)20-8-10-21-11-9-20/h2-7,12H,8-11H2,1H3/b16-12-.
What are the key properties of (E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
(E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile has a molecular weight of 294.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile is sourced from PubChem (CID 2301821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).