2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate

C11H15NO7 — CID 143571418

IUPAC2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate
SMILESC1CC2CCOC2O1.O=C(O)ON1C(=O)CCC1=O
InChIInChI=1S/C6H10O2.C5H5NO5/c1-3-7-6-5(1)2-4-8-6;7-3-1-2-4(8)6(3)11-5(9)10/h5-6H,1-4H2;1-2H2,(H,9,10)
InChIKeyHECLZSQKPYOTJP-UHFFFAOYSA-N
MW273.24 g/mol
LogP0.51
Rot. Bonds1

About 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate

2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate (PubChem CID 143571418) has the molecular formula C11H15NO7 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate.

Molecular Properties

Compound Name2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate
PubChem CID143571418
Molecular FormulaC11H15NO7
Molecular Weight273.24 g/mol
Exact Mass273.08
IUPAC Name2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate
SMILESC1CC2CCOC2O1.O=C(O)ON1C(=O)CCC1=O
InChIInChI=1S/C6H10O2.C5H5NO5/c1-3-7-6-5(1)2-4-8-6;7-3-1-2-4(8)6(3)11-5(9)10/h5-6H,1-4H2;1-2H2,(H,9,10)
InChIKeyHECLZSQKPYOTJP-UHFFFAOYSA-N
XLogP0.51
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;oxolane
CID 142807092
(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol
CID 87408657
[(3S)-2,5-dioxo-3-(oxolan-3-yl)pyrrolidin-1-yl] hydrogen carbonate
CID 87110275
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 794147
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron
CID 133112729
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439
(2,5-dioxopyrrolidin-1-yl) 1,4,7-trioxecan-9-yl carbonate
CID 25129099
(2,5-dioxopyrrolidin-1-yl) 1,4-dioxaspiro[4.4]nonane-9-carboxylate
CID 177217862
(2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 145408322
(Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid
CID 87272120

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate?
The IUPAC name of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate (CID 143571418) is 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate.
What is the SMILES notation for 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate?
The canonical SMILES for 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate is C1CC2CCOC2O1.O=C(O)ON1C(=O)CCC1=O.
What is the InChIKey of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate?
The InChIKey is HECLZSQKPYOTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C5H5NO5/c1-3-7-6-5(1)2-4-8-6;7-3-1-2-4(8)6(3)11-5(9)10/h5-6H,1-4H2;1-2H2,(H,9,10).
What are the key properties of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate?
2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate has a molecular weight of 273.24 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate is sourced from PubChem (CID 143571418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).