carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione

C19H26N2O11 — CID 161120743

IUPACcarbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione
SMILESO=C(CCO)CCCC(=O)ON1C(=O)CCC1=O.O=C1CCC(=O)N1CCCO.O=C=O
InChIInChI=1S/C11H15NO6.C7H11NO3.CO2/c13-7-6-8(14)2-1-3-11(17)18-12-9(15)4-5-10(12)16;9-5-1-4-8-6(10)2-3-7(8)11;2-1-3/h13H,1-7H2;9H,1-5H2;
InChIKeyUKXKQLIHXHCNIQ-UHFFFAOYSA-N
MW458.42 g/mol
LogP-1.35
Rot. Bonds10

About carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione

carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione (PubChem CID 161120743) has the molecular formula C19H26N2O11 and a molecular weight of 458.42 g/mol. Its IUPAC name is carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Namecarbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione
PubChem CID161120743
Molecular FormulaC19H26N2O11
Molecular Weight458.42 g/mol
Exact Mass458.15
IUPAC Namecarbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione
SMILESO=C(CCO)CCCC(=O)ON1C(=O)CCC1=O.O=C1CCC(=O)N1CCCO.O=C=O
InChIInChI=1S/C11H15NO6.C7H11NO3.CO2/c13-7-6-8(14)2-1-3-11(17)18-12-9(15)4-5-10(12)16;9-5-1-4-8-6(10)2-3-7(8)11;2-1-3/h13H,1-7H2;9H,1-5H2;
InChIKeyUKXKQLIHXHCNIQ-UHFFFAOYSA-N
XLogP-1.35
TPSA192.73 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.42
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633
(2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate
CID 167615874
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate
CID 147058530
(2,5-dioxopyrrolidin-1-yl) 6-[2-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]ethoxy]-5-oxohexanoate
CID 163776671
(2,5-dioxopyrrolidin-1-yl) 4-(3-hydroxypropoxy)butanoate;formaldehyde;1-hydroxypentan-3-one;methanamine;methane
CID 157237929
(2,5-dioxopyrrolidin-1-yl) 4-(4-hydroxybutyldisulfanyl)butanoate
CID 166945532
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
6-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[7-(2,5-dioxopyrrolidin-1-yl)-6-oxoheptanoyl]oxyethyl] hexanedioate
CID 162785232
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 4-(3-hydroxypropoxy)butanoate;6-(3-hydroxypropoxy)hexan-3-one;methanamine;methane
CID 157087840

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione?
The IUPAC name of carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione (CID 161120743) is carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione?
The canonical SMILES for carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione is O=C(CCO)CCCC(=O)ON1C(=O)CCC1=O.O=C1CCC(=O)N1CCCO.O=C=O.
What is the InChIKey of carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione?
The InChIKey is UKXKQLIHXHCNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6.C7H11NO3.CO2/c13-7-6-8(14)2-1-3-11(17)18-12-9(15)4-5-10(12)16;9-5-1-4-8-6(10)2-3-7(8)11;2-1-3/h13H,1-7H2;9H,1-5H2;.
What are the key properties of carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione?
carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione has a molecular weight of 458.42 g/mol, XLogP of -1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-5-oxoheptanoate;1-(3-hydroxypropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 161120743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).