1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione

C12H14N2O3 — CID 107467220

IUPAC1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione
SMILESCOc1cccc(CN)c1N1C(=O)CCC1=O
InChIInChI=1S/C12H14N2O3/c1-17-9-4-2-3-8(7-13)12(9)14-10(15)5-6-11(14)16/h2-4H,5-7,13H2,1H3
InChIKeyPCBWMRDSBNIMQE-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.81
Rot. Bonds3

About 1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione

1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione (PubChem CID 107467220) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione
PubChem CID107467220
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione
SMILESCOc1cccc(CN)c1N1C(=O)CCC1=O
InChIInChI=1S/C12H14N2O3/c1-17-9-4-2-3-8(7-13)12(9)14-10(15)5-6-11(14)16/h2-4H,5-7,13H2,1H3
InChIKeyPCBWMRDSBNIMQE-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 107467227
[2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine
CID 107467236
[2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine
CID 107467223
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
(2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204277
2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid
CID 83757667
1-(2,6-dimethoxyphenyl)azepan-2-one
CID 172766887
2-[2-methoxy-6-(2-pyrrolidin-1-ylethyl)phenyl]isoindole-1,3-dione
CID 168519606
N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 46590512
methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate
CID 168513456
(2-butan-2-yloxy-3-methoxyphenyl)methanamine
CID 43471450
2-(aminomethyl)-6-methoxy-N-(methylsulfamoyl)aniline
CID 107466334

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione (CID 107467220) is 1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione is COc1cccc(CN)c1N1C(=O)CCC1=O.
What is the InChIKey of 1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione?
The InChIKey is PCBWMRDSBNIMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-9-4-2-3-8(7-13)12(9)14-10(15)5-6-11(14)16/h2-4H,5-7,13H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione?
1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione has a molecular weight of 234.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 107467220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).