(2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione

C15H20N2O8 — CID 144956392

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione
SMILESCON1C(=O)CCC1=O.O=CCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H13NO5.C5H7NO3/c12-7-3-1-2-4-10(15)16-11-8(13)5-6-9(11)14;1-9-6-4(7)2-3-5(6)8/h7H,1-6H2;2-3H2,1H3
InChIKeyUNRYTKRNEDDCFP-UHFFFAOYSA-N
MW356.33 g/mol
LogP0.05
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione

(2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione (PubChem CID 144956392) has the molecular formula C15H20N2O8 and a molecular weight of 356.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione
PubChem CID144956392
Molecular FormulaC15H20N2O8
Molecular Weight356.33 g/mol
Exact Mass356.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione
SMILESCON1C(=O)CCC1=O.O=CCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H13NO5.C5H7NO3/c12-7-3-1-2-4-10(15)16-11-8(13)5-6-9(11)14;1-9-6-4(7)2-3-5(6)8/h7H,1-6H2;2-3H2,1H3
InChIKeyUNRYTKRNEDDCFP-UHFFFAOYSA-N
XLogP0.05
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) hept-6-enoate
CID 118510926
(2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate
CID 139256325
1-O-(2,5-dioxopyrrolidin-1-yl) 11-O-[methyl(4-oxobutanoyl)amino] undecanedioate
CID 126540985
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione (CID 144956392) is (2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione is CON1C(=O)CCC1=O.O=CCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione?
The InChIKey is UNRYTKRNEDDCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5.C5H7NO3/c12-7-3-1-2-4-10(15)16-11-8(13)5-6-9(11)14;1-9-6-4(7)2-3-5(6)8/h7H,1-6H2;2-3H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione?
(2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione has a molecular weight of 356.33 g/mol, XLogP of 0.05, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione is sourced from PubChem (CID 144956392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).