4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one

C14H17NO3 — CID 165482189

IUPAC4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one
SMILESC=C(C)COc1cccc(N2CCOCC2=O)c1
InChIInChI=1S/C14H17NO3/c1-11(2)9-18-13-5-3-4-12(8-13)15-6-7-17-10-14(15)16/h3-5,8H,1,6-7,9-10H2,2H3
InChIKeyNVTGWLAFMPWJPU-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.00
Rot. Bonds4

About 4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one

4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one (PubChem CID 165482189) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one
PubChem CID165482189
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one
SMILESC=C(C)COc1cccc(N2CCOCC2=O)c1
InChIInChI=1S/C14H17NO3/c1-11(2)9-18-13-5-3-4-12(8-13)15-6-7-17-10-14(15)16/h3-5,8H,1,6-7,9-10H2,2H3
InChIKeyNVTGWLAFMPWJPU-UHFFFAOYSA-N
XLogP2.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one
CID 168701900
methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine
CID 168512674
1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716937
4,10,16,22-tetrakis(3-methylphenyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-3,11,15,23-tetrone
CID 100991495
[1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672720
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
[(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate
CID 167909828
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54826101
4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one
CID 156807251
4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one
CID 174859010

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one?
The IUPAC name of 4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one (CID 165482189) is 4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one.
What is the SMILES notation for 4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one?
The canonical SMILES for 4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one is C=C(C)COc1cccc(N2CCOCC2=O)c1.
What is the InChIKey of 4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one?
The InChIKey is NVTGWLAFMPWJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-11(2)9-18-13-5-3-4-12(8-13)15-6-7-17-10-14(15)16/h3-5,8H,1,6-7,9-10H2,2H3.
What are the key properties of 4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one?
4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one has a molecular weight of 247.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one is sourced from PubChem (CID 165482189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).