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

C14H18N2O5 — CID 129280581

IUPAC(2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)ON1CCCC1=O
InChIInChI=1S/C14H18N2O5/c17-11-7-8-12(18)15(11)9-3-1-2-6-14(20)21-16-10-4-5-13(16)19/h7-8H,1-6,9-10H2
InChIKeyAKDDRMDSJIBYEC-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.55
Rot. Bonds7

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

(2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 129280581) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID129280581
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)ON1CCCC1=O
InChIInChI=1S/C14H18N2O5/c17-11-7-8-12(18)15(11)9-3-1-2-6-14(20)21-16-10-4-5-13(16)19/h7-8H,1-6,9-10H2
InChIKeyAKDDRMDSJIBYEC-UHFFFAOYSA-N
XLogP0.55
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(gamma-Maleimidobutyryloxy)succinimide
CID 133440
N-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate
CID 4170355
N-(6-Maleimidocaproyloxy)succinimide
CID 5091655
11-(Maleimido)undecanoic acid N-succinimidyl ester
CID 5091658
N-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)prop-2-enamide
CID 2762590
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
(2,5-Dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)hexanoate
CID 19391139

Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of (2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 129280581) is (2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for (2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate is O=C(CCCCCN1C(=O)C=CC1=O)ON1CCCC1=O.
What is the InChIKey of (2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is AKDDRMDSJIBYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-11-7-8-12(18)15(11)9-3-1-2-6-14(20)21-16-10-4-5-13(16)19/h7-8H,1-6,9-10H2.
What are the key properties of (2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
(2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 294.31 g/mol, XLogP of 0.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 129280581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).