6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one

C13H17NO2 — CID 117159172

IUPAC6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one
SMILESCc1ccccc1CC1(C)CNC(=O)CO1
InChIInChI=1S/C13H17NO2/c1-10-5-3-4-6-11(10)7-13(2)9-14-12(15)8-16-13/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeySQGIISBOAHBZKS-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.44
Rot. Bonds2

About 6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one

6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one (PubChem CID 117159172) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one
PubChem CID117159172
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one
SMILESCc1ccccc1CC1(C)CNC(=O)CO1
InChIInChI=1S/C13H17NO2/c1-10-5-3-4-6-11(10)7-13(2)9-14-12(15)8-16-13/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeySQGIISBOAHBZKS-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-6-[(2-methylphenyl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one?
The IUPAC name of 6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one (CID 117159172) is 6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one.
What is the SMILES notation for 6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one?
The canonical SMILES for 6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one is Cc1ccccc1CC1(C)CNC(=O)CO1.
What is the InChIKey of 6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one?
The InChIKey is SQGIISBOAHBZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-5-3-4-6-11(10)7-13(2)9-14-12(15)8-16-13/h3-6H,7-9H2,1-2H3,(H,14,15).
What are the key properties of 6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one?
6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one has a molecular weight of 219.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 117159172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).