6-methyl-6-(3-methylphenyl)morpholin-3-one

C12H15NO2 — CID 117159206

IUPAC6-methyl-6-(3-methylphenyl)morpholin-3-one
SMILESCc1cccc(C2(C)CNC(=O)CO2)c1
InChIInChI=1S/C12H15NO2/c1-9-4-3-5-10(6-9)12(2)8-13-11(14)7-15-12/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyLZUHJQPAEXKAMO-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.36
Rot. Bonds1

About 6-methyl-6-(3-methylphenyl)morpholin-3-one

6-methyl-6-(3-methylphenyl)morpholin-3-one (PubChem CID 117159206) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-methyl-6-(3-methylphenyl)morpholin-3-one.

Molecular Properties

Compound Name6-methyl-6-(3-methylphenyl)morpholin-3-one
PubChem CID117159206
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6-methyl-6-(3-methylphenyl)morpholin-3-one
SMILESCc1cccc(C2(C)CNC(=O)CO2)c1
InChIInChI=1S/C12H15NO2/c1-9-4-3-5-10(6-9)12(2)8-13-11(14)7-15-12/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyLZUHJQPAEXKAMO-UHFFFAOYSA-N
XLogP1.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-bromophenyl)-6-methylmorpholin-3-one
CID 117159225
2-methyl-2-(3-methylphenyl)oxirane
CID 62774936
2-methyl-2-(3-methylphenyl)morpholine;hydrochloride
CID 121230111
6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one
CID 117159146
5-methyl-5-(3-methylphenyl)oxolan-2-one
CID 10679234
6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one
CID 117159151
2-methyl-2-(3-methylphenyl)cyclobutan-1-one
CID 86070267
6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one
CID 117159172
2,2,6-trimethyl-6-(3-methylphenyl)piperidine
CID 117272320
9-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 163317293
2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane
CID 117227009
(2S)-2-(iodomethyl)-3,3-dimethyl-2-(3-methylphenyl)oxirane
CID 132510677

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(3-methylphenyl)morpholin-3-one?
The IUPAC name of 6-methyl-6-(3-methylphenyl)morpholin-3-one (CID 117159206) is 6-methyl-6-(3-methylphenyl)morpholin-3-one.
What is the SMILES notation for 6-methyl-6-(3-methylphenyl)morpholin-3-one?
The canonical SMILES for 6-methyl-6-(3-methylphenyl)morpholin-3-one is Cc1cccc(C2(C)CNC(=O)CO2)c1.
What is the InChIKey of 6-methyl-6-(3-methylphenyl)morpholin-3-one?
The InChIKey is LZUHJQPAEXKAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-4-3-5-10(6-9)12(2)8-13-11(14)7-15-12/h3-6H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 6-methyl-6-(3-methylphenyl)morpholin-3-one?
6-methyl-6-(3-methylphenyl)morpholin-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(3-methylphenyl)morpholin-3-one is sourced from PubChem (CID 117159206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).