6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

C20H24N2O7 — CID 54041172

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C20H24N2O7/c23-15-9-10-16(24)21(15)13-5-1-3-7-19(27)29-20(28)8-4-2-6-14-22-17(25)11-12-18(22)26/h9-12H,1-8,13-14H2
InChIKeyLMLMLCNXADWFRX-UHFFFAOYSA-N
MW404.42 g/mol
LogP1.03
Rot. Bonds12

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

6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 54041172) has the molecular formula C20H24N2O7 and a molecular weight of 404.42 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID54041172
Molecular FormulaC20H24N2O7
Molecular Weight404.42 g/mol
Exact Mass404.16
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C20H24N2O7/c23-15-9-10-16(24)21(15)13-5-1-3-7-19(27)29-20(28)8-4-2-6-14-22-17(25)11-12-18(22)26/h9-12H,1-8,13-14H2
InChIKeyLMLMLCNXADWFRX-UHFFFAOYSA-N
XLogP1.03
TPSA118.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-Maleimidohexanoic acid
CID 573683
N-(6-Maleimidocaproyloxy)succinimide
CID 5091655
Fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 175311182
(2,5-Dioxopyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 9796541
1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, methyl ester
CID 11195463
6-(2,5-Dioxopyrrol-1-yl)hexaneperoxoic acid
CID 14716645
CID 17788007
CID 17788007
6-(2,5-Dioxopyrrol-1-yl)hexanoic acid;prop-2-enoic acid
CID 17857430
1-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxy]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 20631253
2-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084349
4-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084354
6-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxy]hexyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084357

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 54041172) is 6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is O=C(CCCCCN1C(=O)C=CC1=O)OC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is LMLMLCNXADWFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7/c23-15-9-10-16(24)21(15)13-5-1-3-7-19(27)29-20(28)8-4-2-6-14-22-17(25)11-12-18(22)26/h9-12H,1-8,13-14H2.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 404.42 g/mol, XLogP of 1.03, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 54041172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).