methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate

C8H13NO4 — CID 158098437

IUPACmethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
SMILESC.CC(=O)ON1C(=O)CC(C)C1=O
InChIInChI=1S/C7H9NO4.CH4/c1-4-3-6(10)8(7(4)11)12-5(2)9;/h4H,3H2,1-2H3;1H4
InChIKeyFOYKKTUCAWWPNF-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.50
Rot. Bonds1

About methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate

methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate (PubChem CID 158098437) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate.

Molecular Properties

Compound Namemethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
PubChem CID158098437
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Namemethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
SMILESC.CC(=O)ON1C(=O)CC(C)C1=O
InChIInChI=1S/C7H9NO4.CH4/c1-4-3-6(10)8(7(4)11)12-5(2)9;/h4H,3H2,1-2H3;1H4
InChIKeyFOYKKTUCAWWPNF-UHFFFAOYSA-N
XLogP0.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
CID 144871508
1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(3-methyl-2,5-dioxopyrrolidin-1-yl) propanedioate
CID 126608619
(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl) acetate
CID 122532298
(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-oxohexanoate
CID 158181411
(2,5-dioxo-3-propan-2-ylsulfanylpyrrolidin-1-yl) acetate
CID 166731682
1-acetyl-3-methylpyrrolidine-2,5-dione;ethane
CID 143333871
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxopyrrolidin-1-yl] acetate
CID 130186959
[3-[3-(disulfanyl)propylsulfanyl]-2,5-dioxopyrrolidin-1-yl] acetate;propane
CID 142806175
(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate
CID 160735938
(2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate
CID 174287021
(1,3-dioxo-3a,4,5,6,6a,7,8,9,9a,9b-decahydrobenzo[de]isoquinolin-2-yl) acetate
CID 22016494
(2,5-dioxo-3-sulfanylpyrrolidin-1-yl) 2-methylpropanoate
CID 138475521

Frequently Asked Questions

What is the IUPAC name of methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate?
The IUPAC name of methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate (CID 158098437) is methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate.
What is the SMILES notation for methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate?
The canonical SMILES for methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate is C.CC(=O)ON1C(=O)CC(C)C1=O.
What is the InChIKey of methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate?
The InChIKey is FOYKKTUCAWWPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4.CH4/c1-4-3-6(10)8(7(4)11)12-5(2)9;/h4H,3H2,1-2H3;1H4.
What are the key properties of methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate?
methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate has a molecular weight of 187.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate is sourced from PubChem (CID 158098437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).