(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide

C14H10N2O3 — CID 954076

IUPAC(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccco1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H10N2O3/c15-9-10(8-13-2-1-7-19-13)14(18)16-11-3-5-12(17)6-4-11/h1-8,17H,(H,16,18)/b10-8+
InChIKeyBJBPCBQRTIRONX-CSKARUKUSA-N
MW254.25 g/mol
LogP2.53
Rot. Bonds3

About (E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide

(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 954076) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is (E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide
PubChem CID954076
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccco1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H10N2O3/c15-9-10(8-13-2-1-7-19-13)14(18)16-11-3-5-12(17)6-4-11/h1-8,17H,(H,16,18)/b10-8+
InChIKeyBJBPCBQRTIRONX-CSKARUKUSA-N
XLogP2.53
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2888047
(E)-2-cyano-3-(furan-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 788171
(E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 7912177
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 842183
pentyl 4-[[2-cyano-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 3767883
2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide
CID 3527277
2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 4517104
methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
N-[1-(furan-2-yl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 828229
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
CID 840729
(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 40543296

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide (CID 954076) is (E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide is N#C/C(=C\c1ccco1)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of (E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is BJBPCBQRTIRONX-CSKARUKUSA-N. The full InChI is InChI=1S/C14H10N2O3/c15-9-10(8-13-2-1-7-19-13)14(18)16-11-3-5-12(17)6-4-11/h1-8,17H,(H,16,18)/b10-8+.
What are the key properties of (E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide?
(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 254.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 954076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).