3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one

C15H17NO3 — CID 78163324

IUPAC3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESCC(=O)c1ccc(C=CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H17NO3/c1-12(17)14-5-2-13(3-6-14)4-7-15(18)16-8-10-19-11-9-16/h2-7H,8-11H2,1H3
InChIKeyXZMCVKAHNZDQAN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.76
Rot. Bonds3

About 3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one

3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 78163324) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID78163324
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESCC(=O)c1ccc(C=CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H17NO3/c1-12(17)14-5-2-13(3-6-14)4-7-15(18)16-8-10-19-11-9-16/h2-7H,8-11H2,1H3
InChIKeyXZMCVKAHNZDQAN-UHFFFAOYSA-N
XLogP1.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.76
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

3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 90998248
N-cyclopropyl-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzamide
CID 35554708
(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 93012407
N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide
CID 68976485
4-[(E)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300680
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 111434188
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
(Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 82153475
3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one
CID 76872983
1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682150
(E)-1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682151
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of 3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one (CID 78163324) is 3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for 3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for 3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one is CC(=O)c1ccc(C=CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is XZMCVKAHNZDQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-12(17)14-5-2-13(3-6-14)4-7-15(18)16-8-10-19-11-9-16/h2-7H,8-11H2,1H3.
What are the key properties of 3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one?
3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 259.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 78163324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).