1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

C18H22N2O9 — CID 90373484

IUPAC1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESCCC(OC(=O)CCCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H22N2O9/c1-2-17(28-18(26)29-20-14(23)9-10-15(20)24)27-16(25)6-4-3-5-11-19-12(21)7-8-13(19)22/h7-8,17H,2-6,9-11H2,1H3
InChIKeyVJJDMDJBEALMBB-UHFFFAOYSA-N
MW410.38 g/mol
LogP0.97
Rot. Bonds10

About 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 90373484) has the molecular formula C18H22N2O9 and a molecular weight of 410.38 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID90373484
Molecular FormulaC18H22N2O9
Molecular Weight410.38 g/mol
Exact Mass410.13
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESCCC(OC(=O)CCCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H22N2O9/c1-2-17(28-18(26)29-20-14(23)9-10-15(20)24)27-16(25)6-4-3-5-11-19-12(21)7-8-13(19)22/h7-8,17H,2-6,9-11H2,1H3
InChIKeyVJJDMDJBEALMBB-UHFFFAOYSA-N
XLogP0.97
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 90373484) is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is CCC(OC(=O)CCCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is VJJDMDJBEALMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O9/c1-2-17(28-18(26)29-20-14(23)9-10-15(20)24)27-16(25)6-4-3-5-11-19-12(21)7-8-13(19)22/h7-8,17H,2-6,9-11H2,1H3.
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 410.38 g/mol, XLogP of 0.97, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 90373484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).