N-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide

C10H12N2O6 — CID 139549851

IUPACN-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide
SMILESCN(OCON1C(=O)C=CC1=O)C(=O)CCC=O
InChIInChI=1S/C10H12N2O6/c1-11(8(14)3-2-6-13)17-7-18-12-9(15)4-5-10(12)16/h4-6H,2-3,7H2,1H3
InChIKeyXQQPJYBWLVFGCU-UHFFFAOYSA-N
MW256.21 g/mol
LogP-0.83
Rot. Bonds7

About N-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide

N-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide (PubChem CID 139549851) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is N-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide
PubChem CID139549851
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC NameN-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide
SMILESCN(OCON1C(=O)C=CC1=O)C(=O)CCC=O
InChIInChI=1S/C10H12N2O6/c1-11(8(14)3-2-6-13)17-7-18-12-9(15)4-5-10(12)16/h4-6H,2-3,7H2,1H3
InChIKeyXQQPJYBWLVFGCU-UHFFFAOYSA-N
XLogP-0.83
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[Methyl(4-oxobutanoyl)amino] 2-(2,5-dioxopyrrol-1-yl)acetate
CID 89150559
3-(2,5-dioxopyrrol-1-yl)propanal;N-methoxy-N-methyl-4-oxobutanamide
CID 142465060
3-(2,5-Dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione
CID 142492006
ethane;[methyl(4-oxobutanoyl)amino] acetate;1-methyl-2H-pyrrol-5-one
CID 144648049
[methyl(4-oxobutanoyl)amino] formate;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide
CID 144980202
1-[1-(2,5-Dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione
CID 150546781
1-Methoxypyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
CID 157569050
(2,5-Dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione
CID 169179100
(Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide
CID 170762642
(2,5-dioxopyrrolidin-1-yl) formate;(Z)-N-formyl-N-propylbut-2-enamide
CID 177361585
1-Hexylpyrrole-2,5-dione;[methyl(4-oxobutanoyl)amino] formate
CID 178144150

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide?
The IUPAC name of N-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide (CID 139549851) is N-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide?
The canonical SMILES for N-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide is CN(OCON1C(=O)C=CC1=O)C(=O)CCC=O.
What is the InChIKey of N-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide?
The InChIKey is XQQPJYBWLVFGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6/c1-11(8(14)3-2-6-13)17-7-18-12-9(15)4-5-10(12)16/h4-6H,2-3,7H2,1H3.
What are the key properties of N-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide?
N-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide has a molecular weight of 256.21 g/mol, XLogP of -0.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dioxopyrrol-1-yl)oxymethoxy]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 139549851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).