(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate

C11H15NO5 — CID 87104242

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
SMILESCCC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H15NO5/c1-2-8(13)4-3-5-11(16)17-12-9(14)6-7-10(12)15/h2-7H2,1H3
InChIKeyCZDJMJQMMDTHET-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.74
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate

(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate (PubChem CID 87104242) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
PubChem CID87104242
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
SMILESCCC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H15NO5/c1-2-8(13)4-3-5-11(16)17-12-9(14)6-7-10(12)15/h2-7H2,1H3
InChIKeyCZDJMJQMMDTHET-UHFFFAOYSA-N
XLogP0.74
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-(3-hydroxypropoxy)butanoate;6-(3-hydroxypropoxy)hexan-3-one;methanamine;methane
CID 157087840
(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633
(2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate
CID 147058530
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
(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) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 4-(3-hydroxypropoxy)butanoate;formaldehyde;1-hydroxypentan-3-one;methanamine;methane
CID 157237929
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate (CID 87104242) is (2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate is CCC(=O)CCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate?
The InChIKey is CZDJMJQMMDTHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-2-8(13)4-3-5-11(16)17-12-9(14)6-7-10(12)15/h2-7H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate?
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate has a molecular weight of 241.24 g/mol, XLogP of 0.74, 6 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) 5-oxoheptanoate is sourced from PubChem (CID 87104242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).