4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one

C14H19ClN2O — CID 117023277

IUPAC4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCc1cc(C)c(N2C(=O)CC(N)C2(C)C)c(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-8-5-9(2)13(10(15)6-8)17-12(18)7-11(16)14(17,3)4/h5-6,11H,7,16H2,1-4H3
InChIKeyDTSVOBNVFUOWHI-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.80
Rot. Bonds1

About 4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one

4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 117023277) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID117023277
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCc1cc(C)c(N2C(=O)CC(N)C2(C)C)c(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-8-5-9(2)13(10(15)6-8)17-12(18)7-11(16)14(17,3)4/h5-6,11H,7,16H2,1-4H3
InChIKeyDTSVOBNVFUOWHI-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023248
4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one
CID 117023303
3-chloro-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 14181830
1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol
CID 117019068
1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
CID 117017121
1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017956
1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
CID 117014121
1-(2-chloro-4,6-dimethylphenyl)-1,4-diazocan-2-one
CID 117016188
4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one
CID 117010856
4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine
CID 142350924
N-butyl-1-(2-chloro-4,6-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113187919
1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187924

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one (CID 117023277) is 4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one is Cc1cc(C)c(N2C(=O)CC(N)C2(C)C)c(Cl)c1.
What is the InChIKey of 4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is DTSVOBNVFUOWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-8-5-9(2)13(10(15)6-8)17-12(18)7-11(16)14(17,3)4/h5-6,11H,7,16H2,1-4H3.
What are the key properties of 4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one?
4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 266.77 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 117023277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).