(2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate

C12H17NO8 — CID 25129099

IUPAC(2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate
SMILESO=C(OC1COCCOCCOC1)ON1C(=O)CCC1=O
InChIInChI=1S/C12H17NO8/c14-10-1-2-11(15)13(10)21-12(16)20-9-7-18-5-3-17-4-6-19-8-9/h9H,1-8H2
InChIKeyGTPDLIXXCCAUHE-UHFFFAOYSA-N
MW303.27 g/mol
LogP-0.36
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate

(2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate (PubChem CID 25129099) has the molecular formula C12H17NO8 and a molecular weight of 303.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate
PubChem CID25129099
Molecular FormulaC12H17NO8
Molecular Weight303.27 g/mol
Exact Mass303.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate
SMILESO=C(OC1COCCOCCOC1)ON1C(=O)CCC1=O
InChIInChI=1S/C12H17NO8/c14-10-1-2-11(15)13(10)21-12(16)20-9-7-18-5-3-17-4-6-19-8-9/h9H,1-8H2
InChIKeyGTPDLIXXCCAUHE-UHFFFAOYSA-N
XLogP-0.36
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate (CID 25129099) is (2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate is O=C(OC1COCCOCCOC1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate?
The InChIKey is GTPDLIXXCCAUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO8/c14-10-1-2-11(15)13(10)21-12(16)20-9-7-18-5-3-17-4-6-19-8-9/h9H,1-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate?
(2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate has a molecular weight of 303.27 g/mol, XLogP of -0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate is sourced from PubChem (CID 25129099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).