(2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate

C7H8O4 — CID 70260994

IUPAC(2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate
SMILESO=C(O)OC1C2CCC(=O)C21
InChIInChI=1S/C7H8O4/c8-4-2-1-3-5(4)6(3)11-7(9)10/h3,5-6H,1-2H2,(H,9,10)
InChIKeyRAQGZDUSUMVTEJ-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.66
Rot. Bonds1

About (2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate

(2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate (PubChem CID 70260994) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate
PubChem CID70260994
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate
SMILESO=C(O)OC1C2CCC(=O)C21
InChIInChI=1S/C7H8O4/c8-4-2-1-3-5(4)6(3)11-7(9)10/h3,5-6H,1-2H2,(H,9,10)
InChIKeyRAQGZDUSUMVTEJ-UHFFFAOYSA-N
XLogP0.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate?
The IUPAC name of (2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate (CID 70260994) is (2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate.
What is the SMILES notation for (2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate?
The canonical SMILES for (2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate is O=C(O)OC1C2CCC(=O)C21.
What is the InChIKey of (2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate?
The InChIKey is RAQGZDUSUMVTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-4-2-1-3-5(4)6(3)11-7(9)10/h3,5-6H,1-2H2,(H,9,10).
What are the key properties of (2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate?
(2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate has a molecular weight of 156.14 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-6-bicyclo[3.1.0]hexanyl) hydrogen carbonate is sourced from PubChem (CID 70260994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).