3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione

C16H19NO5 — CID 57388180

IUPAC3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(O)cc2O)C(=O)N1CC1CCCO1
InChIInChI=1S/C16H19NO5/c18-12-4-3-10(14(19)8-12)6-11-7-15(20)17(16(11)21)9-13-2-1-5-22-13/h3-4,8,11,13,18-19H,1-2,5-7,9H2
InChIKeyRLLSGXLVSBQMJS-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.19
Rot. Bonds4

About 3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione

3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 57388180) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione
PubChem CID57388180
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(O)cc2O)C(=O)N1CC1CCCO1
InChIInChI=1S/C16H19NO5/c18-12-4-3-10(14(19)8-12)6-11-7-15(20)17(16(11)21)9-13-2-1-5-22-13/h3-4,8,11,13,18-19H,1-2,5-7,9H2
InChIKeyRLLSGXLVSBQMJS-UHFFFAOYSA-N
XLogP1.19
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione (CID 57388180) is 3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione is O=C1CC(Cc2ccc(O)cc2O)C(=O)N1CC1CCCO1.
What is the InChIKey of 3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is RLLSGXLVSBQMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c18-12-4-3-10(14(19)8-12)6-11-7-15(20)17(16(11)21)9-13-2-1-5-22-13/h3-4,8,11,13,18-19H,1-2,5-7,9H2.
What are the key properties of 3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione?
3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 305.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dihydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 57388180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).