(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide

C16H14N2O2 — CID 738823

IUPAC(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)cc1
InChIInChI=1S/C16H14N2O2/c1-11-3-6-14(7-4-11)18-16(19)13(10-17)9-15-8-5-12(2)20-15/h3-9H,1-2H3,(H,18,19)/b13-9+
InChIKeyIVQBXLFDKBOALG-UKTHLTGXSA-N
MW266.30 g/mol
LogP3.44
Rot. Bonds3

About (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide

(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide (PubChem CID 738823) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide
PubChem CID738823
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)cc1
InChIInChI=1S/C16H14N2O2/c1-11-3-6-14(7-4-11)18-16(19)13(10-17)9-15-8-5-12(2)20-15/h3-9H,1-2H3,(H,18,19)/b13-9+
InChIKeyIVQBXLFDKBOALG-UKTHLTGXSA-N
XLogP3.44
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide (CID 738823) is (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)cc1.
What is the InChIKey of (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is IVQBXLFDKBOALG-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-3-6-14(7-4-11)18-16(19)13(10-17)9-15-8-5-12(2)20-15/h3-9H,1-2H3,(H,18,19)/b13-9+.
What are the key properties of (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide?
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 266.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 738823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).