2,2-diethoxypropane;pyrrole-2,5-dione

C11H19NO4 — CID 20982125

IUPAC2,2-diethoxypropane;pyrrole-2,5-dione
SMILESCCOC(C)(C)OCC.O=C1C=CC(=O)N1
InChIInChI=1S/C7H16O2.C4H3NO2/c1-5-8-7(3,4)9-6-2;6-3-1-2-4(7)5-3/h5-6H2,1-4H3;1-2H,(H,5,6,7)
InChIKeyTZLIIYQHDNANAH-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.99
Rot. Bonds4

About 2,2-diethoxypropane;pyrrole-2,5-dione

2,2-diethoxypropane;pyrrole-2,5-dione (PubChem CID 20982125) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2,2-diethoxypropane;pyrrole-2,5-dione.

Molecular Properties

Compound Name2,2-diethoxypropane;pyrrole-2,5-dione
PubChem CID20982125
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2,2-diethoxypropane;pyrrole-2,5-dione
SMILESCCOC(C)(C)OCC.O=C1C=CC(=O)N1
InChIInChI=1S/C7H16O2.C4H3NO2/c1-5-8-7(3,4)9-6-2;6-3-1-2-4(7)5-3/h5-6H2,1-4H3;1-2H,(H,5,6,7)
InChIKeyTZLIIYQHDNANAH-UHFFFAOYSA-N
XLogP0.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxypropane;pyrrole-2,5-dione?
The IUPAC name of 2,2-diethoxypropane;pyrrole-2,5-dione (CID 20982125) is 2,2-diethoxypropane;pyrrole-2,5-dione.
What is the SMILES notation for 2,2-diethoxypropane;pyrrole-2,5-dione?
The canonical SMILES for 2,2-diethoxypropane;pyrrole-2,5-dione is CCOC(C)(C)OCC.O=C1C=CC(=O)N1.
What is the InChIKey of 2,2-diethoxypropane;pyrrole-2,5-dione?
The InChIKey is TZLIIYQHDNANAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C4H3NO2/c1-5-8-7(3,4)9-6-2;6-3-1-2-4(7)5-3/h5-6H2,1-4H3;1-2H,(H,5,6,7).
What are the key properties of 2,2-diethoxypropane;pyrrole-2,5-dione?
2,2-diethoxypropane;pyrrole-2,5-dione has a molecular weight of 229.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxypropane;pyrrole-2,5-dione is sourced from PubChem (CID 20982125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).