(2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate

C12H15NO6 — CID 177217862

IUPAC(2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCCC12OCCO2
InChIInChI=1S/C12H15NO6/c14-9-3-4-10(15)13(9)19-11(16)8-2-1-5-12(8)17-6-7-18-12/h8H,1-7H2
InChIKeyRMOHFAZMCIPMMQ-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.14
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate

(2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate (PubChem CID 177217862) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate
PubChem CID177217862
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCCC12OCCO2
InChIInChI=1S/C12H15NO6/c14-9-3-4-10(15)13(9)19-11(16)8-2-1-5-12(8)17-6-7-18-12/h8H,1-7H2
InChIKeyRMOHFAZMCIPMMQ-UHFFFAOYSA-N
XLogP0.14
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-dioxaspiro[4.4]nonane-9-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate (CID 177217862) is (2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate is O=C(ON1C(=O)CCC1=O)C1CCCC12OCCO2.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate?
The InChIKey is RMOHFAZMCIPMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c14-9-3-4-10(15)13(9)19-11(16)8-2-1-5-12(8)17-6-7-18-12/h8H,1-7H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate has a molecular weight of 269.25 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate is sourced from PubChem (CID 177217862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).