3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione

C15H15N3O4 — CID 102528032

IUPAC3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione
SMILESCOC1(C2=C(N)C(=O)N(C)C2=O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H15N3O4/c1-17-9-7-5-4-6-8(9)15(22-3,14(17)21)10-11(16)13(20)18(2)12(10)19/h4-7H,16H2,1-3H3
InChIKeyNRZPAZRPCBLNFA-UHFFFAOYSA-N
MW301.30 g/mol
LogP-0.28
Rot. Bonds2

About 3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione

3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione (PubChem CID 102528032) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione
PubChem CID102528032
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione
SMILESCOC1(C2=C(N)C(=O)N(C)C2=O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C15H15N3O4/c1-17-9-7-5-4-6-8(9)15(22-3,14(17)21)10-11(16)13(20)18(2)12(10)19/h4-7H,16H2,1-3H3
InChIKeyNRZPAZRPCBLNFA-UHFFFAOYSA-N
XLogP-0.28
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one
CID 132608894
methyl (3R)-1-methyl-2-oxo-3-propan-2-ylindole-3-carboxylate
CID 171828755
(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one
CID 125478862
(1S,5S,6S)-2-amino-4,4-dimethoxy-1'-methyl-2'-oxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile
CID 7343930
3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one
CID 2893867
(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one
CID 135062562
2-amino-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84719129
methyl (2R)-3-bromo-2-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]propanoate
CID 102189808

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione (CID 102528032) is 3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione is COC1(C2=C(N)C(=O)N(C)C2=O)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione?
The InChIKey is NRZPAZRPCBLNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-17-9-7-5-4-6-8(9)15(22-3,14(17)21)10-11(16)13(20)18(2)12(10)19/h4-7H,16H2,1-3H3.
What are the key properties of 3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione?
3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione has a molecular weight of 301.30 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-methoxy-1-methyl-2-oxoindol-3-yl)-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 102528032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).