1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione

C14H17NO4 — CID 62019696

IUPAC1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(CO)cc1CN1C(=O)CC(C)C1=O
InChIInChI=1S/C14H17NO4/c1-9-5-13(17)15(14(9)18)7-11-6-10(8-16)3-4-12(11)19-2/h3-4,6,9,16H,5,7-8H2,1-2H3
InChIKeyNAWAPHZFPQXLNL-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.08
Rot. Bonds4

About 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione

1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 62019696) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID62019696
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(CO)cc1CN1C(=O)CC(C)C1=O
InChIInChI=1S/C14H17NO4/c1-9-5-13(17)15(14(9)18)7-11-6-10(8-16)3-4-12(11)19-2/h3-4,6,9,16H,5,7-8H2,1-2H3
InChIKeyNAWAPHZFPQXLNL-UHFFFAOYSA-N
XLogP1.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.08
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-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512610
4-tert-butyl-1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
CID 104512631
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
CID 62018410
1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 114332824
[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 62017644
3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 82160149
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
CID 80583236
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione
CID 79497402
1-[[4-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 54980098
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153
1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 62501670
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione (CID 62019696) is 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione is COc1ccc(CO)cc1CN1C(=O)CC(C)C1=O.
What is the InChIKey of 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is NAWAPHZFPQXLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-5-13(17)15(14(9)18)7-11-6-10(8-16)3-4-12(11)19-2/h3-4,6,9,16H,5,7-8H2,1-2H3.
What are the key properties of 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione?
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 263.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 62019696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).