10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate

C16H25NO7 — CID 174881111

IUPAC10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
SMILESO=C(CCCCCCCCC(=O)ON1C(=O)CCC1=O)OCCO
InChIInChI=1S/C16H25NO7/c18-11-12-23-15(21)7-5-3-1-2-4-6-8-16(22)24-17-13(19)9-10-14(17)20/h18H,1-12H2
InChIKeyNWRGEEKZAYGJFD-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.25
Rot. Bonds12

About 10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate

10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate (PubChem CID 174881111) has the molecular formula C16H25NO7 and a molecular weight of 343.38 g/mol. Its IUPAC name is 10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate.

Molecular Properties

Compound Name10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
PubChem CID174881111
Molecular FormulaC16H25NO7
Molecular Weight343.38 g/mol
Exact Mass343.16
IUPAC Name10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
SMILESO=C(CCCCCCCCC(=O)ON1C(=O)CCC1=O)OCCO
InChIInChI=1S/C16H25NO7/c18-11-12-23-15(21)7-5-3-1-2-4-6-8-16(22)24-17-13(19)9-10-14(17)20/h18H,1-12H2
InChIKeyNWRGEEKZAYGJFD-UHFFFAOYSA-N
XLogP1.25
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-O-(2-hydroxyethyl) 6-O-(2-oxo-5-sulfanylidenepyrrolidin-1-yl) hexanedioate
CID 87744435
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[2-[2-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]oxyethoxy]ethoxy]ethyl] pentanedioate
CID 162161895
1-O-[2-(2,5-dioxocyclopentyl)ethyl] 8-O-(2,5-dioxopyrrolidin-1-yl) octanedioate
CID 145391032
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(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) 7-methoxyheptanoate
CID 90394451

Frequently Asked Questions

What is the IUPAC name of 10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate?
The IUPAC name of 10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate (CID 174881111) is 10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate.
What is the SMILES notation for 10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate?
The canonical SMILES for 10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate is O=C(CCCCCCCCC(=O)ON1C(=O)CCC1=O)OCCO.
What is the InChIKey of 10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate?
The InChIKey is NWRGEEKZAYGJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO7/c18-11-12-23-15(21)7-5-3-1-2-4-6-8-16(22)24-17-13(19)9-10-14(17)20/h18H,1-12H2.
What are the key properties of 10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate?
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate has a molecular weight of 343.38 g/mol, XLogP of 1.25, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate is sourced from PubChem (CID 174881111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).