(E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide

C18H13NO3 — CID 938899

IUPAC(E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C18H13NO3/c20-17(10-6-13-4-2-1-3-5-13)19-15-8-9-16-14(12-15)7-11-18(21)22-16/h1-12H,(H,19,20)/b10-6+
InChIKeyNQGBGSTYVHBWKT-UXBLZVDNSA-N
MW291.31 g/mol
LogP3.44
Rot. Bonds3

About (E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide

(E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide (PubChem CID 938899) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is (E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide
PubChem CID938899
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name(E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C18H13NO3/c20-17(10-6-13-4-2-1-3-5-13)19-15-8-9-16-14(12-15)7-11-18(21)22-16/h1-12H,(H,19,20)/b10-6+
InChIKeyNQGBGSTYVHBWKT-UXBLZVDNSA-N
XLogP3.44
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', '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)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide (CID 938899) is (E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of (E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide?
The InChIKey is NQGBGSTYVHBWKT-UXBLZVDNSA-N. The full InChI is InChI=1S/C18H13NO3/c20-17(10-6-13-4-2-1-3-5-13)19-15-8-9-16-14(12-15)7-11-18(21)22-16/h1-12H,(H,19,20)/b10-6+.
What are the key properties of (E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide?
(E)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide has a molecular weight of 291.31 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)-N-(2-oxochromen-6-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 938899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).