1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one

C14H21N3O — CID 115378411

IUPAC1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2ccc(C)c(N(C)C)c2)C1=O
InChIInChI=1S/C14H21N3O/c1-10-5-6-11(9-13(10)16(3)4)17-8-7-12(15-2)14(17)18/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeySHYZKLQBLRUTBM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.39
Rot. Bonds3

About 1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one

1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one (PubChem CID 115378411) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one
PubChem CID115378411
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(c2ccc(C)c(N(C)C)c2)C1=O
InChIInChI=1S/C14H21N3O/c1-10-5-6-11(9-13(10)16(3)4)17-8-7-12(15-2)14(17)18/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeySHYZKLQBLRUTBM-UHFFFAOYSA-N
XLogP1.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-1-[3-(dimethylamino)-4-methylphenyl]pyrrolidin-2-one
CID 115379182
1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one
CID 54973015
1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
3-(methylamino)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 54973368
1-(3-bromo-4,5-dimethylphenyl)-3-(methylamino)pyrrolidin-2-one
CID 54047309
1-(3-bromo-5-methylphenyl)-3-(methylamino)pyrrolidin-2-one
CID 107579742
1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 62812484
1-(2,5-dichloro-4-methylphenyl)-3-(methylamino)pyrrolidin-2-one
CID 104727309
1-(4-bromo-3,5-dimethylphenyl)-3-(methylamino)piperidin-2-one
CID 107579697
1-tert-butyl-3-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838832
1-[3-(dimethylamino)-4-methylphenyl]-5-oxopyrrolidine-3-carbonitrile
CID 115379167

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one (CID 115378411) is 1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one is CNC1CCN(c2ccc(C)c(N(C)C)c2)C1=O.
What is the InChIKey of 1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one?
The InChIKey is SHYZKLQBLRUTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-6-11(9-13(10)16(3)4)17-8-7-12(15-2)14(17)18/h5-6,9,12,15H,7-8H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one?
1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-methylphenyl]-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 115378411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).