4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride

C12H17ClN2O — CID 71779044

IUPAC4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
SMILESCc1ccc(N2CC(N)CC2=O)cc1C.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-8-3-4-11(5-9(8)2)14-7-10(13)6-12(14)15;/h3-5,10H,6-7,13H2,1-2H3;1H
InChIKeyXGUZQQJVZXQWDY-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.79
Rot. Bonds1

About 4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride

4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 71779044) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
PubChem CID71779044
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
SMILESCc1ccc(N2CC(N)CC2=O)cc1C.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-8-3-4-11(5-9(8)2)14-7-10(13)6-12(14)15;/h3-5,10H,6-7,13H2,1-2H3;1H
InChIKeyXGUZQQJVZXQWDY-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 62813427
4-(4-amino-2-oxopyrrolidin-1-yl)-2-methylbenzonitrile
CID 168699726
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one
CID 168699934
4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride
CID 138958614
4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one
CID 168700601
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride (CID 71779044) is 4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride is Cc1ccc(N2CC(N)CC2=O)cc1C.Cl.
What is the InChIKey of 4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is XGUZQQJVZXQWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-8-3-4-11(5-9(8)2)14-7-10(13)6-12(14)15;/h3-5,10H,6-7,13H2,1-2H3;1H.
What are the key properties of 4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride?
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 71779044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).