(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide

C14H13NO3 — CID 108794102

IUPAC(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1coc2ccccc2c1=O
InChIInChI=1S/C14H13NO3/c1-2-15-13(16)8-7-10-9-18-12-6-4-3-5-11(12)14(10)17/h3-9H,2H2,1H3,(H,15,16)/b8-7+
InChIKeyHOPIZCRYGBUPKN-BQYQJAHWSA-N
MW243.26 g/mol
LogP1.94
Rot. Bonds3

About (E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide

(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide (PubChem CID 108794102) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide
PubChem CID108794102
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1coc2ccccc2c1=O
InChIInChI=1S/C14H13NO3/c1-2-15-13(16)8-7-10-9-18-12-6-4-3-5-11(12)14(10)17/h3-9H,2H2,1H3,(H,15,16)/b8-7+
InChIKeyHOPIZCRYGBUPKN-BQYQJAHWSA-N
XLogP1.94
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.94
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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Related Compounds

(E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
CID 108792993
(E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805864
(E)-N-[4-(diethylamino)butyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794148
(E)-N-(6-hydroxyhexyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805840
3-[[[(E)-3-(4-oxochromen-3-yl)prop-2-enoyl]amino]methyl]benzoic acid
CID 108745448
(E)-3-(4-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 108794092
(E)-N-(4-butoxyphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794158
(E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805868
(E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805807
2-[[4-[[(E)-3-(4-oxochromen-3-yl)prop-2-enoyl]amino]benzoyl]amino]acetic acid
CID 108794172
(E)-3-(4-oxochromen-3-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108794040
(E)-N-[2-(4-methylanilino)phenyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108745072

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide (CID 108794102) is (E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide is CCNC(=O)/C=C/c1coc2ccccc2c1=O.
What is the InChIKey of (E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide?
The InChIKey is HOPIZCRYGBUPKN-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-15-13(16)8-7-10-9-18-12-6-4-3-5-11(12)14(10)17/h3-9H,2H2,1H3,(H,15,16)/b8-7+.
What are the key properties of (E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide?
(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide has a molecular weight of 243.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide is sourced from PubChem (CID 108794102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).