2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione

C14H18N2O6 — CID 138475641

IUPAC2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione
SMILESCCCCC(C=O)N1C(=O)C=CC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C10H13NO3.C4H5NO3/c1-2-3-4-8(7-12)11-9(13)5-6-10(11)14;6-3-1-2-4(7)5(3)8/h5-8H,2-4H2,1H3;8H,1-2H2
InChIKeyNSLSILKZPZTWTM-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.19
Rot. Bonds5

About 2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione

2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione (PubChem CID 138475641) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione
PubChem CID138475641
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione
SMILESCCCCC(C=O)N1C(=O)C=CC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C10H13NO3.C4H5NO3/c1-2-3-4-8(7-12)11-9(13)5-6-10(11)14;6-3-1-2-4(7)5(3)8/h5-8H,2-4H2,1H3;8H,1-2H2
InChIKeyNSLSILKZPZTWTM-UHFFFAOYSA-N
XLogP0.19
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2,5-Dioxopyrrolidin-1-yl)-1-oxohexan-2-yl]pyrrole-2,5-dione
CID 22328218
6-(2,5-Dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione
CID 145415097
6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide
CID 153371736
1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
CID 155721292
N-(2,5-dioxopyrrolidin-1-yl)-6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide
CID 173638274
2-[3-(2,5-Dioxopyrrol-1-yl)-5-ethyl-2-oxopyrrolidin-1-yl]acetaldehyde
CID 159847598

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione (CID 138475641) is 2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione is CCCCC(C=O)N1C(=O)C=CC1=O.O=C1CCC(=O)N1O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is NSLSILKZPZTWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.C4H5NO3/c1-2-3-4-8(7-12)11-9(13)5-6-10(11)14;6-3-1-2-4(7)5(3)8/h5-8H,2-4H2,1H3;8H,1-2H2.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione?
2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 310.31 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)hexanal;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 138475641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).