(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate

C15H18N2O6 — CID 22159166

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate
SMILESCCC(CCCC(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C15H18N2O6/c1-2-10(16-11(18)6-7-12(16)19)4-3-5-15(22)23-17-13(20)8-9-14(17)21/h6-7,10H,2-5,8-9H2,1H3
InChIKeyFPWFUXYSYPGEBC-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.47
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate

(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate (PubChem CID 22159166) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate
PubChem CID22159166
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate
SMILESCCC(CCCC(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C15H18N2O6/c1-2-10(16-11(18)6-7-12(16)19)4-3-5-15(22)23-17-13(20)8-9-14(17)21/h6-7,10H,2-5,8-9H2,1H3
InChIKeyFPWFUXYSYPGEBC-UHFFFAOYSA-N
XLogP0.47
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate
CID 54028486
(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)butanoate
CID 174535443
tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
CID 102579235
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
10-(2,5-dioxopyrrol-1-yl)dodecanoic acid
CID 151278217
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol
CID 144847954
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione
CID 174768072
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate (CID 22159166) is (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate is CCC(CCCC(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate?
The InChIKey is FPWFUXYSYPGEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-2-10(16-11(18)6-7-12(16)19)4-3-5-15(22)23-17-13(20)8-9-14(17)21/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate?
(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate has a molecular weight of 322.32 g/mol, XLogP of 0.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate is sourced from PubChem (CID 22159166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).