1-(oxan-2-yloxymethyl)pyrrole-2,5-dione

C10H13NO4 — CID 19771298

IUPAC1-(oxan-2-yloxymethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1COC1CCCCO1
InChIInChI=1S/C10H13NO4/c12-8-4-5-9(13)11(8)7-15-10-3-1-2-6-14-10/h4-5,10H,1-3,6-7H2
InChIKeyLHFQYWIMXPLTCE-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.41
Rot. Bonds3

About 1-(oxan-2-yloxymethyl)pyrrole-2,5-dione

1-(oxan-2-yloxymethyl)pyrrole-2,5-dione (PubChem CID 19771298) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(oxan-2-yloxymethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(oxan-2-yloxymethyl)pyrrole-2,5-dione
PubChem CID19771298
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1-(oxan-2-yloxymethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1COC1CCCCO1
InChIInChI=1S/C10H13NO4/c12-8-4-5-9(13)11(8)7-15-10-3-1-2-6-14-10/h4-5,10H,1-3,6-7H2
InChIKeyLHFQYWIMXPLTCE-UHFFFAOYSA-N
XLogP0.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.41
H-Bond Donors ≤ 50
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-(oxan-2-yloxymethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(oxan-2-yloxymethyl)pyrrole-2,5-dione (CID 19771298) is 1-(oxan-2-yloxymethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(oxan-2-yloxymethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(oxan-2-yloxymethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1COC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yloxymethyl)pyrrole-2,5-dione?
The InChIKey is LHFQYWIMXPLTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-8-4-5-9(13)11(8)7-15-10-3-1-2-6-14-10/h4-5,10H,1-3,6-7H2.
What are the key properties of 1-(oxan-2-yloxymethyl)pyrrole-2,5-dione?
1-(oxan-2-yloxymethyl)pyrrole-2,5-dione has a molecular weight of 211.22 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yloxymethyl)pyrrole-2,5-dione is sourced from PubChem (CID 19771298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).