5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one

C11H20N2O — CID 126856976

IUPAC5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one
SMILESCN(CC1CCC(=O)N1C)C1CCC1
InChIInChI=1S/C11H20N2O/c1-12(9-4-3-5-9)8-10-6-7-11(14)13(10)2/h9-10H,3-8H2,1-2H3
InChIKeyPKWBCKQSBOQMOW-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.09
Rot. Bonds3

About 5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one

5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one (PubChem CID 126856976) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one
PubChem CID126856976
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one
SMILESCN(CC1CCC(=O)N1C)C1CCC1
InChIInChI=1S/C11H20N2O/c1-12(9-4-3-5-9)8-10-6-7-11(14)13(10)2/h9-10H,3-8H2,1-2H3
InChIKeyPKWBCKQSBOQMOW-UHFFFAOYSA-N
XLogP1.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one (CID 126856976) is 5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one is CN(CC1CCC(=O)N1C)C1CCC1.
What is the InChIKey of 5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one?
The InChIKey is PKWBCKQSBOQMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12(9-4-3-5-9)8-10-6-7-11(14)13(10)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one?
5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 126856976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).