6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide

C16H24N2O6 — CID 153371736

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide
SMILESCON(C)C(=O)CCC=O.O=CCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3.C6H11NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;1-7(10-2)6(9)4-3-5-8/h5-6,8H,1-4,7H2;5H,3-4H2,1-2H3
InChIKeyPXUQKFICFYAEKI-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.66
Rot. Bonds10

About 6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide

6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide (PubChem CID 153371736) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide
PubChem CID153371736
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide
SMILESCON(C)C(=O)CCC=O.O=CCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3.C6H11NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;1-7(10-2)6(9)4-3-5-8/h5-6,8H,1-4,7H2;5H,3-4H2,1-2H3
InChIKeyPXUQKFICFYAEKI-UHFFFAOYSA-N
XLogP0.66
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]-N'-hydroxybutanediamide
CID 87602445
2-(2,5-Dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione
CID 138475641
(2,5-dioxopyrrolidin-1-yl) 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate
CID 139457947
3-(2,5-dioxopyrrol-1-yl)propanal;N-methoxy-N-methyl-4-oxobutanamide
CID 142465060
[methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate
CID 142543352
5-(2,5-Dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione
CID 143182877
[Methyl(4-oxobutanoyl)amino] 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 144265351
ethane;[methyl(4-oxobutanoyl)amino] acetate;1-methyl-2H-pyrrol-5-one
CID 144648049
6-(2,5-Dioxopyrrol-1-yl)hexanal;ethane
CID 144703023
6-(2,5-Dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione
CID 145415097
N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
CID 153371680
(2,5-dioxopyrrolidin-1-yl) 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate;ethane
CID 155696534

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide (CID 153371736) is 6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide is CON(C)C(=O)CCC=O.O=CCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide?
The InChIKey is PXUQKFICFYAEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.C6H11NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;1-7(10-2)6(9)4-3-5-8/h5-6,8H,1-4,7H2;5H,3-4H2,1-2H3.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide?
6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide has a molecular weight of 340.38 g/mol, XLogP of 0.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide is sourced from PubChem (CID 153371736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).