1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one

C17H26N2O — CID 60936524

IUPAC1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1cc(C)c(CNC(C)CN2CCCC2=O)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-8-13(2)16(14(3)9-12)10-18-15(4)11-19-7-5-6-17(19)20/h8-9,15,18H,5-7,10-11H2,1-4H3
InChIKeyQRVBBYUOSPLILS-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.71
Rot. Bonds5

About 1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one

1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 60936524) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
PubChem CID60936524
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1cc(C)c(CNC(C)CN2CCCC2=O)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-8-13(2)16(14(3)9-12)10-18-15(4)11-19-7-5-6-17(19)20/h8-9,15,18H,5-7,10-11H2,1-4H3
InChIKeyQRVBBYUOSPLILS-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60961488
1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 103943702
1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 54977127
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 66399198
1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 55114701
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 62096164
1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60930964
1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one
CID 62406382
1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 62758526
1-[(2S)-2-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 94195068
1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one
CID 55109743
1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one
CID 103792650

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one (CID 60936524) is 1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one is Cc1cc(C)c(CNC(C)CN2CCCC2=O)c(C)c1.
What is the InChIKey of 1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is QRVBBYUOSPLILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-13(2)16(14(3)9-12)10-18-15(4)11-19-7-5-6-17(19)20/h8-9,15,18H,5-7,10-11H2,1-4H3.
What are the key properties of 1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one?
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 274.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 60936524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).