1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione

C13H16N2O3 — CID 113460325

IUPAC1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione
SMILESCOc1cc(CN)ccc1N1C(=O)CC(C)C1=O
InChIInChI=1S/C13H16N2O3/c1-8-5-12(16)15(13(8)17)10-4-3-9(7-14)6-11(10)18-2/h3-4,6,8H,5,7,14H2,1-2H3
InChIKeyCPSLGDMDDPOMGU-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.05
Rot. Bonds3

About 1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione

1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 113460325) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione
PubChem CID113460325
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione
SMILESCOc1cc(CN)ccc1N1C(=O)CC(C)C1=O
InChIInChI=1S/C13H16N2O3/c1-8-5-12(16)15(13(8)17)10-4-3-9(7-14)6-11(10)18-2/h3-4,6,8H,5,7,14H2,1-2H3
InChIKeyCPSLGDMDDPOMGU-UHFFFAOYSA-N
XLogP1.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.05
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-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one
CID 104848461
1-[2-(aminomethyl)phenyl]-3-methylpyrrolidine-2,5-dione
CID 61038416
2-[4-(aminomethyl)-2-methoxyphenyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 104848478
1-[[4-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 54980098
(3S)-1-(2,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
CID 41390458
1-(4-amino-2-methoxyphenyl)azepane-2,7-dione
CID 43382567
3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione
CID 82160067
1-(2-amino-5-fluorophenyl)-3-methylpyrrolidine-2,5-dione
CID 63257947
(3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 6925391
3-amino-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzonitrile
CID 78965676
1-(2-chloro-4-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione
CID 64787181
2-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid
CID 43827010

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione (CID 113460325) is 1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione is COc1cc(CN)ccc1N1C(=O)CC(C)C1=O.
What is the InChIKey of 1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is CPSLGDMDDPOMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-5-12(16)15(13(8)17)10-4-3-9(7-14)6-11(10)18-2/h3-4,6,8H,5,7,14H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione?
1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 248.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 113460325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).