(2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate

C15H23NO5 — CID 147058530

IUPAC(2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate
SMILESCC(C)(C)CCC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H23NO5/c1-15(2,3)10-9-11(17)5-4-6-14(20)21-16-12(18)7-8-13(16)19/h4-10H2,1-3H3
InChIKeyBCSJXYUXFVGKHH-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.16
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate

(2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate (PubChem CID 147058530) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate
PubChem CID147058530
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate
SMILESCC(C)(C)CCC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H23NO5/c1-15(2,3)10-9-11(17)5-4-6-14(20)21-16-12(18)7-8-13(16)19/h4-10H2,1-3H3
InChIKeyBCSJXYUXFVGKHH-UHFFFAOYSA-N
XLogP2.16
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.16
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) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
1-O-tert-butyl 19-O-(2,5-dioxopyrrolidin-1-yl) nonadecanedioate
CID 133081009
(2,5-dioxopyrrolidin-1-yl) 6-[2-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2,6-dioxohexoxy]ethoxy]-5-oxohexanoate
CID 163776671
1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate
CID 87253097
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate (CID 147058530) is (2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate is CC(C)(C)CCC(=O)CCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate?
The InChIKey is BCSJXYUXFVGKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-15(2,3)10-9-11(17)5-4-6-14(20)21-16-12(18)7-8-13(16)19/h4-10H2,1-3H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate?
(2,5-dioxopyrrolidin-1-yl) 8,8-dimethyl-5-oxononanoate has a molecular weight of 297.35 g/mol, XLogP of 2.16, 7 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) 8,8-dimethyl-5-oxononanoate is sourced from PubChem (CID 147058530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).