6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione

C14H18N2O7 — CID 67280080

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)CCCCCN1C(=O)C=CC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C10H13NO4.C4H5NO3/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;6-3-1-2-4(7)5(3)8/h5-6H,1-4,7H2,(H,14,15);8H,1-2H2
InChIKeyHBEDKBRARKFPIC-UHFFFAOYSA-N
MW326.31 g/mol
LogP0.08
Rot. Bonds6

About 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione

6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione (PubChem CID 67280080) has the molecular formula C14H18N2O7 and a molecular weight of 326.31 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione
PubChem CID67280080
Molecular FormulaC14H18N2O7
Molecular Weight326.31 g/mol
Exact Mass326.11
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(O)CCCCCN1C(=O)C=CC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C10H13NO4.C4H5NO3/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;6-3-1-2-4(7)5(3)8/h5-6H,1-4,7H2,(H,14,15);8H,1-2H2
InChIKeyHBEDKBRARKFPIC-UHFFFAOYSA-N
XLogP0.08
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-Maleimidohexanoic acid
CID 573683
N-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate
CID 4170355
N-(6-Maleimidocaproyloxy)succinimide
CID 5091655
11-(Maleimido)undecanoic acid N-succinimidyl ester
CID 5091658
2,5-dioxopyrrolidin-1-yl 8-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)octanoate
CID 5091657
(2,5-Dioxopyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 9796541
(2,5-Dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexaneperoxoate
CID 9949147
(2,5-Dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate
CID 9976006
2,5-dioxopyrrolidin-1-yl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanoate
CID 10040074
(2,5-Dioxopyrrolidin-1-yl) 12-(2,5-dioxopyrrol-1-yl)dodecanoate
CID 13421309
CID 17788007
CID 17788007
(2,5-Dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)hexanoate
CID 19391139

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione (CID 67280080) is 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione is O=C(O)CCCCCN1C(=O)C=CC1=O.O=C1CCC(=O)N1O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is HBEDKBRARKFPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4.C4H5NO3/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;6-3-1-2-4(7)5(3)8/h5-6H,1-4,7H2,(H,14,15);8H,1-2H2.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione?
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 326.31 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 67280080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).