(E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

C15H19NO4 — CID 966574

IUPAC(E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C15H19NO4/c1-18-13-5-3-12(11-14(13)19-2)4-6-15(17)16-7-9-20-10-8-16/h3-6,11H,7-10H2,1-2H3/b6-4+
InChIKeySPBNQJPWGMBPPP-GQCTYLIASA-N
MW277.32 g/mol
LogP1.58
Rot. Bonds4

About (E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

(E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 966574) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID966574
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C15H19NO4/c1-18-13-5-3-12(11-14(13)19-2)4-6-15(17)16-7-9-20-10-8-16/h3-6,11H,7-10H2,1-2H3/b6-4+
InChIKeySPBNQJPWGMBPPP-GQCTYLIASA-N
XLogP1.58
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Piperine
CID 638024
Piperlongumine
CID 637858
Dimethomorph
CID 86298
Dimethomorph E
CID 5889665
Simetride
CID 71622
Pipernonaline
CID 9974595
Chavicine
CID 1548912
Dehydropipernonaline
CID 6439947
Piperettine
CID 10244953
Ilepcimide
CID 641115
Cinepazet
CID 6434395
1-[3-(3,4,5-Trimethoxy-phenyl)-acryloyl]-5,6-dihydro-1H-pyridin-2-one
CID 643764

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one (CID 966574) is (E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is COc1ccc(/C=C/C(=O)N2CCOCC2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is SPBNQJPWGMBPPP-GQCTYLIASA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-13-5-3-12(11-14(13)19-2)4-6-15(17)16-7-9-20-10-8-16/h3-6,11H,7-10H2,1-2H3/b6-4+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 277.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 966574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).