(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate

C12H19NO5 — CID 90394451

IUPAC(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
SMILESCOCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H19NO5/c1-17-9-5-3-2-4-6-12(16)18-13-10(14)7-8-11(13)15/h2-9H2,1H3
InChIKeyVZHIBPQVNGEPGU-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.19
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate

(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate (PubChem CID 90394451) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
PubChem CID90394451
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
SMILESCOCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H19NO5/c1-17-9-5-3-2-4-6-12(16)18-13-10(14)7-8-11(13)15/h2-9H2,1H3
InChIKeyVZHIBPQVNGEPGU-UHFFFAOYSA-N
XLogP1.19
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 51340983
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 89254876
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
CID 172913564
CID 172913564
(2,5-dioxopyrrolidin-1-yl) 5-(2-methoxyethoxycarbonylamino)pentanoate
CID 59112809
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate (CID 90394451) is (2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate is COCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate?
The InChIKey is VZHIBPQVNGEPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-17-9-5-3-2-4-6-12(16)18-13-10(14)7-8-11(13)15/h2-9H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate?
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate has a molecular weight of 257.29 g/mol, XLogP of 1.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate is sourced from PubChem (CID 90394451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).