(2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate

C11H17NO6 — CID 175750111

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate
SMILESCOCCCC(C)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H17NO6/c1-8(4-3-7-16-2)17-11(15)18-12-9(13)5-6-10(12)14/h8H,3-7H2,1-2H3
InChIKeyADWZVRPCBUPVDT-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.02
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate

(2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate (PubChem CID 175750111) has the molecular formula C11H17NO6 and a molecular weight of 259.26 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate
PubChem CID175750111
Molecular FormulaC11H17NO6
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate
SMILESCOCCCC(C)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H17NO6/c1-8(4-3-7-16-2)17-11(15)18-12-9(13)5-6-10(12)14/h8H,3-7H2,1-2H3
InChIKeyADWZVRPCBUPVDT-UHFFFAOYSA-N
XLogP1.02
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate (CID 175750111) is (2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate is COCCCC(C)OC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate?
The InChIKey is ADWZVRPCBUPVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6/c1-8(4-3-7-16-2)17-11(15)18-12-9(13)5-6-10(12)14/h8H,3-7H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate?
(2,5-dioxopyrrolidin-1-yl) 5-methoxypentan-2-yl carbonate has a molecular weight of 259.26 g/mol, XLogP of 1.02, 6 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) 5-methoxypentan-2-yl carbonate is sourced from PubChem (CID 175750111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).