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

C16H18N2O9 — CID 78323017

IUPAC(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H18N2O9/c19-11-5-6-12(20)17(11)9-3-1-2-4-15(23)25-10-26-16(24)27-18-13(21)7-8-14(18)22/h5-6H,1-4,7-10H2
InChIKeyDOLDJAUWJYIXRS-UHFFFAOYSA-N
MW382.33 g/mol
LogP0.19
Rot. Bonds9

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

(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 78323017) has the molecular formula C16H18N2O9 and a molecular weight of 382.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID78323017
Molecular FormulaC16H18N2O9
Molecular Weight382.33 g/mol
Exact Mass382.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H18N2O9/c19-11-5-6-12(20)17(11)9-3-1-2-4-15(23)25-10-26-16(24)27-18-13(21)7-8-14(18)22/h5-6H,1-4,7-10H2
InChIKeyDOLDJAUWJYIXRS-UHFFFAOYSA-N
XLogP0.19
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 50.19
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 (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 78323017) is (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is O=C(CCCCCN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is DOLDJAUWJYIXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O9/c19-11-5-6-12(20)17(11)9-3-1-2-4-15(23)25-10-26-16(24)27-18-13(21)7-8-14(18)22/h5-6H,1-4,7-10H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 382.33 g/mol, XLogP of 0.19, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 78323017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).