1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one

C12H16N2O2 — CID 57198893

IUPAC1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1ccc(N)cc1N1CCC(C)C1=O
InChIInChI=1S/C12H16N2O2/c1-8-5-6-14(12(8)15)10-7-9(13)3-4-11(10)16-2/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyIZWLXIISEONUSK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.65
Rot. Bonds2

About 1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one

1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one (PubChem CID 57198893) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one
PubChem CID57198893
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1ccc(N)cc1N1CCC(C)C1=O
InChIInChI=1S/C12H16N2O2/c1-8-5-6-14(12(8)15)10-7-9(13)3-4-11(10)16-2/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyIZWLXIISEONUSK-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
CID 117014225
methyl (3R)-1-(5-amino-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075968
3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline
CID 79689324
5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787309
3-(4-acetylpiperazine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 71955583
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-methoxyaniline
CID 70202679
3-(4-cyclopropylpiperazin-1-yl)sulfonyl-4-methoxyaniline
CID 61140630
(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 107213240
4-methoxy-3-(4-propylpiperazin-1-yl)aniline
CID 166926125
4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline
CID 91679308
[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 82533904
1-[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 82533901

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one?
The IUPAC name of 1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one (CID 57198893) is 1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for 1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one is COc1ccc(N)cc1N1CCC(C)C1=O.
What is the InChIKey of 1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one?
The InChIKey is IZWLXIISEONUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-5-6-14(12(8)15)10-7-9(13)3-4-11(10)16-2/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one?
1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methoxyphenyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 57198893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).