4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one

C13H19N3O — CID 168699360

IUPAC4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
SMILESCN(C)Cc1ccc(N2CC(N)CC2=O)cc1
InChIInChI=1S/C13H19N3O/c1-15(2)8-10-3-5-12(6-4-10)16-9-11(14)7-13(16)17/h3-6,11H,7-9,14H2,1-2H3
InChIKeyOAUQBFMYHQQQJX-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.81
Rot. Bonds3

About 4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one

4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one (PubChem CID 168699360) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
PubChem CID168699360
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
SMILESCN(C)Cc1ccc(N2CC(N)CC2=O)cc1
InChIInChI=1S/C13H19N3O/c1-15(2)8-10-3-5-12(6-4-10)16-9-11(14)7-13(16)17/h3-6,11H,7-9,14H2,1-2H3
InChIKeyOAUQBFMYHQQQJX-UHFFFAOYSA-N
XLogP0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one (CID 168699360) is 4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one is CN(C)Cc1ccc(N2CC(N)CC2=O)cc1.
What is the InChIKey of 4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one?
The InChIKey is OAUQBFMYHQQQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15(2)8-10-3-5-12(6-4-10)16-9-11(14)7-13(16)17/h3-6,11H,7-9,14H2,1-2H3.
What are the key properties of 4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one?
4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168699360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).