3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one

C15H19NO2 — CID 146007688

IUPAC3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one
SMILESCC(C)=CC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19NO2/c1-12(2)11-15(17)13-3-5-14(6-4-13)16-7-9-18-10-8-16/h3-6,11H,7-10H2,1-2H3
InChIKeyWBLGUZFUTXYBPF-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.67
Rot. Bonds3

About 3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one

3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one (PubChem CID 146007688) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one.

Molecular Properties

Compound Name3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one
PubChem CID146007688
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one
SMILESCC(C)=CC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19NO2/c1-12(2)11-15(17)13-3-5-14(6-4-13)16-7-9-18-10-8-16/h3-6,11H,7-10H2,1-2H3
InChIKeyWBLGUZFUTXYBPF-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
1-(4-chlorophenyl)-3-(4-morpholin-4-ylanilino)but-2-en-1-one
CID 2953290
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
methyl (E)-3-(4-morpholin-4-ylphenyl)but-2-enoate
CID 58155389
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde
CID 6079708
(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8685378
(E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 2290884
(E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 6510007
(E)-3-(1-methylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 19541554

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one?
The IUPAC name of 3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one (CID 146007688) is 3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one.
What is the SMILES notation for 3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one?
The canonical SMILES for 3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one is CC(C)=CC(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one?
The InChIKey is WBLGUZFUTXYBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12(2)11-15(17)13-3-5-14(6-4-13)16-7-9-18-10-8-16/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one?
3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one has a molecular weight of 245.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one is sourced from PubChem (CID 146007688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).