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

C11H21NO4 — CID 144871508

IUPACethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
SMILESCC.CC.CC(=O)ON1C(=O)CC(C)C1=O
InChIInChI=1S/C7H9NO4.2C2H6/c1-4-3-6(10)8(7(4)11)12-5(2)9;2*1-2/h4H,3H2,1-2H3;2*1-2H3
InChIKeyISHTWOQGRTXNQK-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.91
Rot. Bonds1

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

ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate (PubChem CID 144871508) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate.

Molecular Properties

Compound Nameethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
PubChem CID144871508
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
SMILESCC.CC.CC(=O)ON1C(=O)CC(C)C1=O
InChIInChI=1S/C7H9NO4.2C2H6/c1-4-3-6(10)8(7(4)11)12-5(2)9;2*1-2/h4H,3H2,1-2H3;2*1-2H3
InChIKeyISHTWOQGRTXNQK-UHFFFAOYSA-N
XLogP1.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.91
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

methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
CID 158098437
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-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate
CID 160735938
[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
(2-oxo-5-propan-2-ylidenepyrrolidin-1-yl) acetate
CID 174287021
ethane;(2-ethenylidene-5-oxopyrrolidin-1-yl) acetate
CID 170744757
(1,3-dioxo-3a,4,5,6,6a,7,8,9,9a,9b-decahydrobenzo[de]isoquinolin-2-yl) acetate
CID 22016494

Frequently Asked Questions

What is the IUPAC name of ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate?
The IUPAC name of ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate (CID 144871508) is ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate.
What is the SMILES notation for ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate?
The canonical SMILES for ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate is CC.CC.CC(=O)ON1C(=O)CC(C)C1=O.
What is the InChIKey of ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate?
The InChIKey is ISHTWOQGRTXNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4.2C2H6/c1-4-3-6(10)8(7(4)11)12-5(2)9;2*1-2/h4H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate?
ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate has a molecular weight of 231.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate is sourced from PubChem (CID 144871508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).