(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane

C13H21NO5 — CID 156842096

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
SMILESCC.CC(=O)CCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H15NO5.C2H6/c1-8(13)4-2-3-5-11(16)17-12-9(14)6-7-10(12)15;1-2/h2-7H2,1H3;1-2H3
InChIKeyHCWJJOVOPSWJBM-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.77
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane

(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane (PubChem CID 156842096) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
PubChem CID156842096
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
SMILESCC.CC(=O)CCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H15NO5.C2H6/c1-8(13)4-2-3-5-11(16)17-12-9(14)6-7-10(12)15;1-2/h2-7H2,1H3;1-2H3
InChIKeyHCWJJOVOPSWJBM-UHFFFAOYSA-N
XLogP1.77
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.77
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

(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]butanoate;5-(3-oxobutoxy)pentan-2-one
CID 167636990
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536
[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo(1,2,4,5-13C4)pentyl]-dimethylazanium
CID 177070574
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane (CID 156842096) is (2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane is CC.CC(=O)CCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane?
The InChIKey is HCWJJOVOPSWJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5.C2H6/c1-8(13)4-2-3-5-11(16)17-12-9(14)6-7-10(12)15;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane?
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane has a molecular weight of 271.31 g/mol, XLogP of 1.77, 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) 6-oxoheptanoate;ethane is sourced from PubChem (CID 156842096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).