6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione

C15H20N2O6 — CID 145415097

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione
SMILESCON1C(=O)CCC1=O.O=CCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3.C5H7NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;1-9-6-4(7)2-3-5(6)8/h5-6,8H,1-4,7H2;2-3H2,1H3
InChIKeyFCIPSZMGZLYYMO-UHFFFAOYSA-N
MW324.33 g/mol
LogP0.37
Rot. Bonds7

About 6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione

6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione (PubChem CID 145415097) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione
PubChem CID145415097
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione
SMILESCON1C(=O)CCC1=O.O=CCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3.C5H7NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;1-9-6-4(7)2-3-5(6)8/h5-6,8H,1-4,7H2;2-3H2,1H3
InChIKeyFCIPSZMGZLYYMO-UHFFFAOYSA-N
XLogP0.37
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.37
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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[6-(2,5-Dioxopyrrolidin-1-yl)oxyhexyl]pyrrole-2,5-dione
CID 66738103
1-[6-(2,5-Dioxopyrrolidin-1-yl)-6-oxohexyl]pyrrole-2,5-dione
CID 68764504
(2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate
CID 118287001
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
3-(2,5-Dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione
CID 142492006
[Methyl(4-oxobutanoyl)amino] 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 144265351
1-[1-(2,5-Dioxopyrrolidin-1-yl)oxyethyl]pyrrole-2,5-dione
CID 150546781
N-acetyl-N-methoxypropanamide;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
CID 153371680
6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide
CID 153371736
(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;1-methoxypyrrolidine-2,5-dione?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione (CID 145415097) is 6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione is CON1C(=O)CCC1=O.O=CCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione?
The InChIKey is FCIPSZMGZLYYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.C5H7NO3/c12-8-4-2-1-3-7-11-9(13)5-6-10(11)14;1-9-6-4(7)2-3-5(6)8/h5-6,8H,1-4,7H2;2-3H2,1H3.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione?
6-(2,5-dioxopyrrol-1-yl)hexanal;1-methoxypyrrolidine-2,5-dione has a molecular weight of 324.33 g/mol, XLogP of 0.37, 7 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;1-methoxypyrrolidine-2,5-dione is sourced from PubChem (CID 145415097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).