1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate

C11H12N2O6 — CID 67459347

IUPAC1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate
SMILESO=C(O)OCc1cccnc1.O=C1CCC(=O)N1O
InChIInChI=1S/C7H7NO3.C4H5NO3/c9-7(10)11-5-6-2-1-3-8-4-6;6-3-1-2-4(7)5(3)8/h1-4H,5H2,(H,9,10);8H,1-2H2
InChIKeyRNUJRLFKKIQUQZ-UHFFFAOYSA-N
MW268.22 g/mol
LogP0.80
Rot. Bonds2

About 1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate

1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate (PubChem CID 67459347) has the molecular formula C11H12N2O6 and a molecular weight of 268.22 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate
PubChem CID67459347
Molecular FormulaC11H12N2O6
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate
SMILESO=C(O)OCc1cccnc1.O=C1CCC(=O)N1O
InChIInChI=1S/C7H7NO3.C4H5NO3/c9-7(10)11-5-6-2-1-3-8-4-6;6-3-1-2-4(7)5(3)8/h1-4H,5H2,(H,9,10);8H,1-2H2
InChIKeyRNUJRLFKKIQUQZ-UHFFFAOYSA-N
XLogP0.80
TPSA117.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
carbonic acid;1-hydroxypyrrolidine-2,5-dione;pyridine
CID 161237221
(1R,2R,3S,4S,5S,6S)-3,6-bis(pyridin-3-ylmethoxycarbonyl)bicyclo[2.2.2]oct-7-ene-2,5-dicarboxylic acid
CID 98155932
pyridin-3-ylmethyl 2-ethylbutanoate
CID 78841882
2,4-dimethyl-5-oxo-5-(pyridin-3-ylmethoxy)pentanoic acid
CID 70449179
(3aS,6aR)-2-(pyridin-3-ylmethoxycarbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylic acid
CID 167951875
(E)-but-2-enedioic acid;pyridin-3-ylmethyl pyridine-3-carboxylate
CID 53249666
pyridin-3-ylmethyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 10592050
4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid
CID 121004909
6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid
CID 63262742
benzyl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 110709124
pyridin-3-ylmethyl 2-propylpentanoate
CID 10243172

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate (CID 67459347) is 1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate is O=C(O)OCc1cccnc1.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate?
The InChIKey is RNUJRLFKKIQUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.C4H5NO3/c9-7(10)11-5-6-2-1-3-8-4-6;6-3-1-2-4(7)5(3)8/h1-4H,5H2,(H,9,10);8H,1-2H2.
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate?
1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate has a molecular weight of 268.22 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;pyridin-3-ylmethyl hydrogen carbonate is sourced from PubChem (CID 67459347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).