1-morpholin-4-yl-3-phenylprop-2-en-1-one

C13H15NO2 — CID 27964

IUPAC1-morpholin-4-yl-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H15NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyAXICCPYRMWRPMS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.56
Rot. Bonds2

About 1-morpholin-4-yl-3-phenylprop-2-en-1-one

1-morpholin-4-yl-3-phenylprop-2-en-1-one (PubChem CID 27964) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-phenylprop-2-en-1-one
PubChem CID27964
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-morpholin-4-yl-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H15NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyAXICCPYRMWRPMS-UHFFFAOYSA-N
XLogP1.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Benzoylmorpholine
CID 15114
Morpholine, 4-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-
CID 692386
4-(1-Oxo-3-phenylallyl)morpholine
CID 691098
4-[3-(2,6-Dichlorophenyl)acryloyl]morpholine
CID 887263
(2E)-1-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 835862
N,N-Diethylcinnamamide
CID 817779
1-(Morpholin-4-yl)-3-phenylpropan-1-one
CID 532825
Piperidine, 1-(1-oxo-3-phenyl-2-propenyl)-
CID 223147
(E)-3-Phenyl-1-Piperidin-1-Ylprop-2-En-1-One
CID 764160
4-(3-(4-Fluorophenyl)-2-propenoyl)morpholine
CID 923524
Cinnamamide, N-(2-hydroxyethyl)-N-methyl-
CID 6303480
3-(4-Isobutylphenyl)-1-morpholino-2-propen-1-one
CID 671205

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-phenylprop-2-en-1-one?
The IUPAC name of 1-morpholin-4-yl-3-phenylprop-2-en-1-one (CID 27964) is 1-morpholin-4-yl-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-phenylprop-2-en-1-one?
The InChIKey is AXICCPYRMWRPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of 1-morpholin-4-yl-3-phenylprop-2-en-1-one?
1-morpholin-4-yl-3-phenylprop-2-en-1-one has a molecular weight of 217.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-phenylprop-2-en-1-one is sourced from PubChem (CID 27964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).