3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one

C17H24N2O2 — CID 71988941

IUPAC3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one
SMILESCc1ccc(C2CN(C3CCN(C)C3=O)CCO2)c(C)c1
InChIInChI=1S/C17H24N2O2/c1-12-4-5-14(13(2)10-12)16-11-19(8-9-21-16)15-6-7-18(3)17(15)20/h4-5,10,15-16H,6-9,11H2,1-3H3
InChIKeyUGDHESLYBHXEHO-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.91
Rot. Bonds2

About 3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one

3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one (PubChem CID 71988941) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one
PubChem CID71988941
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one
SMILESCc1ccc(C2CN(C3CCN(C)C3=O)CCO2)c(C)c1
InChIInChI=1S/C17H24N2O2/c1-12-4-5-14(13(2)10-12)16-11-19(8-9-21-16)15-6-7-18(3)17(15)20/h4-5,10,15-16H,6-9,11H2,1-3H3
InChIKeyUGDHESLYBHXEHO-UHFFFAOYSA-N
XLogP1.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one (CID 71988941) is 3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one is Cc1ccc(C2CN(C3CCN(C)C3=O)CCO2)c(C)c1.
What is the InChIKey of 3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one?
The InChIKey is UGDHESLYBHXEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-4-5-14(13(2)10-12)16-11-19(8-9-21-16)15-6-7-18(3)17(15)20/h4-5,10,15-16H,6-9,11H2,1-3H3.
What are the key properties of 3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one?
3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethylphenyl)morpholin-4-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 71988941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).