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

C13H18N2O — CID 117023248

IUPAC4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1C(=O)CC(N)C1(C)C
InChIInChI=1S/C13H18N2O/c1-9-6-4-5-7-10(9)15-12(16)8-11(14)13(15,2)3/h4-7,11H,8,14H2,1-3H3
InChIKeyLSUQHZPRVJRIFG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.84
Rot. Bonds1

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

4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one (PubChem CID 117023248) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one
PubChem CID117023248
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1C(=O)CC(N)C1(C)C
InChIInChI=1S/C13H18N2O/c1-9-6-4-5-7-10(9)15-12(16)8-11(14)13(15,2)3/h4-7,11H,8,14H2,1-3H3
InChIKeyLSUQHZPRVJRIFG-UHFFFAOYSA-N
XLogP1.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023339
4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one
CID 117023277
1-(2-methoxyphenyl)-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 117023357
4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115064459
2,2-dimethyl-1-(2-methylphenyl)piperidin-4-amine
CID 117020100
2,2-dimethyl-3-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazine
CID 130317602
[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
CID 117007839
5-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 155579307
(2S)-1-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 171323293
(3-amino-2,2-dimethylpiperidin-1-yl)-(2-methylphenyl)methanone
CID 115269313
(6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one
CID 96582225
(1R,2S,6R,7R)-4-(2-methylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 18554840

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one (CID 117023248) is 4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one is Cc1ccccc1N1C(=O)CC(N)C1(C)C.
What is the InChIKey of 4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one?
The InChIKey is LSUQHZPRVJRIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-6-4-5-7-10(9)15-12(16)8-11(14)13(15,2)3/h4-7,11H,8,14H2,1-3H3.
What are the key properties of 4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one?
4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 117023248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).