(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate

C8H11NO4 — CID 70380656

IUPAC(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate
SMILESO=C(O)OC1CCC2CCC(=O)N21
InChIInChI=1S/C8H11NO4/c10-6-3-1-5-2-4-7(9(5)6)13-8(11)12/h5,7H,1-4H2,(H,11,12)
InChIKeyFQGRHVWOMIHBAY-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.79
Rot. Bonds1

About (5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate

(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate (PubChem CID 70380656) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is (5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate
PubChem CID70380656
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate
SMILESO=C(O)OC1CCC2CCC(=O)N21
InChIInChI=1S/C8H11NO4/c10-6-3-1-5-2-4-7(9(5)6)13-8(11)12/h5,7H,1-4H2,(H,11,12)
InChIKeyFQGRHVWOMIHBAY-UHFFFAOYSA-N
XLogP0.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate?
The IUPAC name of (5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate (CID 70380656) is (5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate.
What is the SMILES notation for (5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate?
The canonical SMILES for (5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate is O=C(O)OC1CCC2CCC(=O)N21.
What is the InChIKey of (5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate?
The InChIKey is FQGRHVWOMIHBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c10-6-3-1-5-2-4-7(9(5)6)13-8(11)12/h5,7H,1-4H2,(H,11,12).
What are the key properties of (5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate?
(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate has a molecular weight of 185.18 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate is sourced from PubChem (CID 70380656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).