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

C9H13NO5 — CID 19911288

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
SMILESCC(C)COC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO5/c1-6(2)5-14-9(13)15-10-7(11)3-4-8(10)12/h6H,3-5H2,1-2H3
InChIKeyLNLUEQNONJYKRK-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.86
Rot. Bonds3

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

(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate (PubChem CID 19911288) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
PubChem CID19911288
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
SMILESCC(C)COC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO5/c1-6(2)5-14-9(13)15-10-7(11)3-4-8(10)12/h6H,3-5H2,1-2H3
InChIKeyLNLUEQNONJYKRK-UHFFFAOYSA-N
XLogP0.86
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-methylpropanoate
CID 87715576
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyldisulfanyl]methyl carbonate
CID 90051305
(2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol)
CID 144616170
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate
CID 159138690
(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxypropanoate
CID 122671324
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethylsulfinyl]ethyl carbonate
CID 175094231
(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
CID 11206648
bis[1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] butanedioate
CID 140651778
2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
CID 102051298
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(2-methylpropoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162349007

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate (CID 19911288) is (2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate is CC(C)COC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate?
The InChIKey is LNLUEQNONJYKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c1-6(2)5-14-9(13)15-10-7(11)3-4-8(10)12/h6H,3-5H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate?
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate has a molecular weight of 215.20 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate is sourced from PubChem (CID 19911288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).