5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one

C15H22N2O — CID 117023339

IUPAC5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(c2ccccc2C)C1(C)C
InChIInChI=1S/C15H22N2O/c1-11-7-5-6-8-13(11)17-14(18)9-12(10-16-4)15(17,2)3/h5-8,12,16H,9-10H2,1-4H3
InChIKeyQDYOORGZGUUGCV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.35
Rot. Bonds3

About 5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one

5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one (PubChem CID 117023339) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
PubChem CID117023339
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(c2ccccc2C)C1(C)C
InChIInChI=1S/C15H22N2O/c1-11-7-5-6-8-13(11)17-14(18)9-12(10-16-4)15(17,2)3/h5-8,12,16H,9-10H2,1-4H3
InChIKeyQDYOORGZGUUGCV-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one (CID 117023339) is 5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one is CNCC1CC(=O)N(c2ccccc2C)C1(C)C.
What is the InChIKey of 5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one?
The InChIKey is QDYOORGZGUUGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-5-6-8-13(11)17-14(18)9-12(10-16-4)15(17,2)3/h5-8,12,16H,9-10H2,1-4H3.
What are the key properties of 5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one?
5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 117023339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).