(E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide

C15H13NO3 — CID 703678

IUPAC(E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide
SMILESCC(=O)c1ccc(/C=C/C(=O)Nc2ccccc2)o1
InChIInChI=1S/C15H13NO3/c1-11(17)14-9-7-13(19-14)8-10-15(18)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)/b10-8+
InChIKeyQYUGPLCQCUORGU-CSKARUKUSA-N
MW255.27 g/mol
LogP3.13
Rot. Bonds4

About (E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide

(E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide (PubChem CID 703678) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide
PubChem CID703678
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide
SMILESCC(=O)c1ccc(/C=C/C(=O)Nc2ccccc2)o1
InChIInChI=1S/C15H13NO3/c1-11(17)14-9-7-13(19-14)8-10-15(18)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)/b10-8+
InChIKeyQYUGPLCQCUORGU-CSKARUKUSA-N
XLogP3.13
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide (CID 703678) is (E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide is CC(=O)c1ccc(/C=C/C(=O)Nc2ccccc2)o1.
What is the InChIKey of (E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide?
The InChIKey is QYUGPLCQCUORGU-CSKARUKUSA-N. The full InChI is InChI=1S/C15H13NO3/c1-11(17)14-9-7-13(19-14)8-10-15(18)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)/b10-8+.
What are the key properties of (E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide?
(E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide has a molecular weight of 255.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-acetylfuran-2-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 703678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).