3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione

C17H22N2O5 — CID 57388216

IUPAC3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione
SMILESCOCC1CCCN1N1C(=O)CC(Cc2ccc(O)cc2O)C1=O
InChIInChI=1S/C17H22N2O5/c1-24-10-13-3-2-6-18(13)19-16(22)8-12(17(19)23)7-11-4-5-14(20)9-15(11)21/h4-5,9,12-13,20-21H,2-3,6-8,10H2,1H3
InChIKeyPRHVXBQWIBMHGZ-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.04
Rot. Bonds5

About 3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione

3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 57388216) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione
PubChem CID57388216
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione
SMILESCOCC1CCCN1N1C(=O)CC(Cc2ccc(O)cc2O)C1=O
InChIInChI=1S/C17H22N2O5/c1-24-10-13-3-2-6-18(13)19-16(22)8-12(17(19)23)7-11-4-5-14(20)9-15(11)21/h4-5,9,12-13,20-21H,2-3,6-8,10H2,1H3
InChIKeyPRHVXBQWIBMHGZ-UHFFFAOYSA-N
XLogP1.04
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-phenylpropanoate
CID 57388140
Ethyl 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoate
CID 57388141
Ethyl 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanoate
CID 57388142
Ethyl 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoate
CID 57388143
Ethyl 2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-4-methylsulfanylbutanoate
CID 57388144
4-[3-[(2,4-Dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]butanamide
CID 57388146
2-[3-[(2,4-Dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-3-hydroxypropanamide
CID 57388176
Ethyl 4-amino-2-[3-[(2,4-dihydroxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-4-oxobutanoate
CID 57388177
3-[(2,4-Dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione
CID 57388180
3-[(2,4-Dihydroxyphenyl)methyl]-1-ethoxypyrrolidine-2,5-dione
CID 57388210
1-Amino-3-[(2,4-dihydroxyphenyl)methyl]pyrrolidine-2,5-dione
CID 57388213
3-[(2,4-Dihydroxyphenyl)methyl]-1-(dimethylamino)pyrrolidine-2,5-dione
CID 57388214

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione (CID 57388216) is 3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione is COCC1CCCN1N1C(=O)CC(Cc2ccc(O)cc2O)C1=O.
What is the InChIKey of 3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is PRHVXBQWIBMHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-24-10-13-3-2-6-18(13)19-16(22)8-12(17(19)23)7-11-4-5-14(20)9-15(11)21/h4-5,9,12-13,20-21H,2-3,6-8,10H2,1H3.
What are the key properties of 3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione?
3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 334.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dihydroxyphenyl)methyl]-1-[2-(methoxymethyl)pyrrolidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 57388216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).