(E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide

C14H13NO2 — CID 732131

IUPAC(E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccco1
InChIInChI=1S/C14H13NO2/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h1-10H,11H2,(H,15,16)/b9-8+
InChIKeyMKJOZHINIJXWJJ-CMDGGOBGSA-N
MW227.26 g/mol
LogP2.61
Rot. Bonds4

About (E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide

(E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide (PubChem CID 732131) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide
PubChem CID732131
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccco1
InChIInChI=1S/C14H13NO2/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h1-10H,11H2,(H,15,16)/b9-8+
InChIKeyMKJOZHINIJXWJJ-CMDGGOBGSA-N
XLogP2.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide (CID 732131) is (E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCc1ccco1.
What is the InChIKey of (E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide?
The InChIKey is MKJOZHINIJXWJJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h1-10H,11H2,(H,15,16)/b9-8+.
What are the key properties of (E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide?
(E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide has a molecular weight of 227.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 732131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).