1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione

C15H16N2O4 — CID 175397339

IUPAC1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione
SMILESO=C1C=C(n2ccccc2=O)C(=O)N1CC1CCOCC1
InChIInChI=1S/C15H16N2O4/c18-13-3-1-2-6-16(13)12-9-14(19)17(15(12)20)10-11-4-7-21-8-5-11/h1-3,6,9,11H,4-5,7-8,10H2
InChIKeyOFVINWINCFPXRJ-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.48
Rot. Bonds3

About 1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione

1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione (PubChem CID 175397339) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione
PubChem CID175397339
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione
SMILESO=C1C=C(n2ccccc2=O)C(=O)N1CC1CCOCC1
InChIInChI=1S/C15H16N2O4/c18-13-3-1-2-6-16(13)12-9-14(19)17(15(12)20)10-11-4-7-21-8-5-11/h1-3,6,9,11H,4-5,7-8,10H2
InChIKeyOFVINWINCFPXRJ-UHFFFAOYSA-N
XLogP0.48
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.48
H-Bond Donors ≤ 50
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 1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione?
The IUPAC name of 1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione (CID 175397339) is 1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione is O=C1C=C(n2ccccc2=O)C(=O)N1CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione?
The InChIKey is OFVINWINCFPXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13-3-1-2-6-16(13)12-9-14(19)17(15(12)20)10-11-4-7-21-8-5-11/h1-3,6,9,11H,4-5,7-8,10H2.
What are the key properties of 1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione?
1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione has a molecular weight of 288.30 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-3-(2-oxo-1-pyridinyl)pyrrole-2,5-dione is sourced from PubChem (CID 175397339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).