2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

C16H16N2O5 — CID 11449899

IUPAC2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
SMILESCCOCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O
InChIInChI=1S/C16H16N2O5/c1-2-23-9-17-13(19)8-7-12(16(17)22)18-14(20)10-5-3-4-6-11(10)15(18)21/h3-6,12H,2,7-9H2,1H3
InChIKeyGEVGLTOYDOXTTA-UHFFFAOYSA-N
MW316.31 g/mol
LogP0.79
Rot. Bonds4

About 2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (PubChem CID 11449899) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
PubChem CID11449899
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
SMILESCCOCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O
InChIInChI=1S/C16H16N2O5/c1-2-23-9-17-13(19)8-7-12(16(17)22)18-14(20)10-5-3-4-6-11(10)15(18)21/h3-6,12H,2,7-9H2,1H3
InChIKeyGEVGLTOYDOXTTA-UHFFFAOYSA-N
XLogP0.79
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.79
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 2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (CID 11449899) is 2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is CCOCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O.
What is the InChIKey of 2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The InChIKey is GEVGLTOYDOXTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-2-23-9-17-13(19)8-7-12(16(17)22)18-14(20)10-5-3-4-6-11(10)15(18)21/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione has a molecular weight of 316.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 11449899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).