1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione

C12H14N2O3 — CID 81149958

IUPAC1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1cc(N)cc(CN2C(=O)CCC2=O)c1
InChIInChI=1S/C12H14N2O3/c1-17-10-5-8(4-9(13)6-10)7-14-11(15)2-3-12(14)16/h4-6H,2-3,7,13H2,1H3
InChIKeyFWBLUHXANKBCDT-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.93
Rot. Bonds3

About 1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione

1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 81149958) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID81149958
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1cc(N)cc(CN2C(=O)CCC2=O)c1
InChIInChI=1S/C12H14N2O3/c1-17-10-5-8(4-9(13)6-10)7-14-11(15)2-3-12(14)16/h4-6H,2-3,7,13H2,1H3
InChIKeyFWBLUHXANKBCDT-UHFFFAOYSA-N
XLogP0.93
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 81149814
3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 81149806
1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 81150032
3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 81146115
1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione
CID 81150887
1-[(3-amino-5-methoxyphenyl)methyl]-4-methylpyrrolidin-2-one
CID 81150038
1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one
CID 81150822
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline
CID 81150809
4-[(3-amino-5-methoxyphenyl)methyl]-1H-tetrazol-5-one
CID 137032542
1-[(3-amino-5-methoxyphenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 81149894
1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol
CID 81148745
3-(fluoromethyl)-5-methoxyaniline
CID 90226418

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione (CID 81149958) is 1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione is COc1cc(N)cc(CN2C(=O)CCC2=O)c1.
What is the InChIKey of 1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is FWBLUHXANKBCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-10-5-8(4-9(13)6-10)7-14-11(15)2-3-12(14)16/h4-6H,2-3,7,13H2,1H3.
What are the key properties of 1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 234.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 81149958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).