1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione

C16H19NO4 — CID 81134502

IUPAC1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1CC1(O)CCOCC1
InChIInChI=1S/C16H19NO4/c18-14-10-13(12-4-2-1-3-5-12)15(19)17(14)11-16(20)6-8-21-9-7-16/h1-5,13,20H,6-11H2
InChIKeyFEFPVWFRTWDJHR-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.07
Rot. Bonds3

About 1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione

1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione (PubChem CID 81134502) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
PubChem CID81134502
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1CC1(O)CCOCC1
InChIInChI=1S/C16H19NO4/c18-14-10-13(12-4-2-1-3-5-12)15(19)17(14)11-16(20)6-8-21-9-7-16/h1-5,13,20H,6-11H2
InChIKeyFEFPVWFRTWDJHR-UHFFFAOYSA-N
XLogP1.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione (CID 81134502) is 1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione is O=C1CC(c2ccccc2)C(=O)N1CC1(O)CCOCC1.
What is the InChIKey of 1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is FEFPVWFRTWDJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-14-10-13(12-4-2-1-3-5-12)15(19)17(14)11-16(20)6-8-21-9-7-16/h1-5,13,20H,6-11H2.
What are the key properties of 1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione?
1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 289.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 81134502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).