(E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide

C15H15NO3 — CID 108792993

IUPAC(E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1coc2ccc(C)cc2c1=O
InChIInChI=1S/C15H15NO3/c1-3-16-14(17)7-5-11-9-19-13-6-4-10(2)8-12(13)15(11)18/h4-9H,3H2,1-2H3,(H,16,17)/b7-5+
InChIKeySFMIEHSGFXMHLC-FNORWQNLSA-N
MW257.29 g/mol
LogP2.25
Rot. Bonds3

About (E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide

(E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide (PubChem CID 108792993) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
PubChem CID108792993
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1coc2ccc(C)cc2c1=O
InChIInChI=1S/C15H15NO3/c1-3-16-14(17)7-5-11-9-19-13-6-4-10(2)8-12(13)15(11)18/h4-9H,3H2,1-2H3,(H,16,17)/b7-5+
InChIKeySFMIEHSGFXMHLC-FNORWQNLSA-N
XLogP2.25
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.25
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

2-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]acetic acid
CID 108792937
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide
CID 108805012
(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794102
2-methyl-2-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]butanoic acid
CID 108804969
2-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]pentanedioic acid
CID 108793024
3-hydroxy-2-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]butanoic acid
CID 108793027
(E)-N-(2-butan-2-ylphenyl)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
CID 108804948
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 108804960
(E)-N-(3-chloro-4-methylphenyl)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
CID 108792892
3-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]benzoic acid
CID 108792883
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108792881
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 108747679

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide (CID 108792993) is (E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide is CCNC(=O)/C=C/c1coc2ccc(C)cc2c1=O.
What is the InChIKey of (E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide?
The InChIKey is SFMIEHSGFXMHLC-FNORWQNLSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-16-14(17)7-5-11-9-19-13-6-4-10(2)8-12(13)15(11)18/h4-9H,3H2,1-2H3,(H,16,17)/b7-5+.
What are the key properties of (E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide?
(E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide has a molecular weight of 257.29 g/mol, XLogP of 2.25, 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-(6-methyl-4-oxochromen-3-yl)prop-2-enamide is sourced from PubChem (CID 108792993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).