7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate

C23H30N2O8 — CID 58598633

IUPAC7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate
SMILESO=C(CCCCCCN1C(=O)C=CC1=O)OCOC(=O)CCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C23H30N2O8/c26-18-11-12-19(27)24(18)15-7-3-1-5-9-22(30)32-17-33-23(31)10-6-2-4-8-16-25-20(28)13-14-21(25)29/h11-14H,1-10,15-17H2
InChIKeyMGOXSYVCBRHIII-UHFFFAOYSA-N
MW462.50 g/mol
LogP1.78
Rot. Bonds16

About 7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate

7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate (PubChem CID 58598633) has the molecular formula C23H30N2O8 and a molecular weight of 462.50 g/mol. Its IUPAC name is 7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate.

Molecular Properties

Compound Name7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate
PubChem CID58598633
Molecular FormulaC23H30N2O8
Molecular Weight462.50 g/mol
Exact Mass462.20
IUPAC Name7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate
SMILESO=C(CCCCCCN1C(=O)C=CC1=O)OCOC(=O)CCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C23H30N2O8/c26-18-11-12-19(27)24(18)15-7-3-1-5-9-22(30)32-17-33-23(31)10-6-2-4-8-16-25-20(28)13-14-21(25)29/h11-14H,1-10,15-17H2
InChIKeyMGOXSYVCBRHIII-UHFFFAOYSA-N
XLogP1.78
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate?
The IUPAC name of 7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate (CID 58598633) is 7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate.
What is the SMILES notation for 7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate?
The canonical SMILES for 7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate is O=C(CCCCCCN1C(=O)C=CC1=O)OCOC(=O)CCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate?
The InChIKey is MGOXSYVCBRHIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O8/c26-18-11-12-19(27)24(18)15-7-3-1-5-9-22(30)32-17-33-23(31)10-6-2-4-8-16-25-20(28)13-14-21(25)29/h11-14H,1-10,15-17H2.
What are the key properties of 7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate?
7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate has a molecular weight of 462.50 g/mol, XLogP of 1.78, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dioxopyrrol-1-yl)heptanoyloxymethyl 7-(2,5-dioxopyrrol-1-yl)heptanoate is sourced from PubChem (CID 58598633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).