[(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate

C10H15NO3 — CID 11446922

IUPAC[(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC(=O)N2CCC[C@H]12
InChIInChI=1S/C10H15NO3/c1-7(12)14-6-8-5-10(13)11-4-2-3-9(8)11/h8-9H,2-6H2,1H3/t8-,9+/m0/s1
InChIKeyULUUUDJRAUOUSP-DTWKUNHWSA-N
MW197.23 g/mol
LogP0.56
Rot. Bonds2

About [(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate

[(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate (PubChem CID 11446922) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate.

Molecular Properties

Compound Name[(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate
PubChem CID11446922
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC(=O)N2CCC[C@H]12
InChIInChI=1S/C10H15NO3/c1-7(12)14-6-8-5-10(13)11-4-2-3-9(8)11/h8-9H,2-6H2,1H3/t8-,9+/m0/s1
InChIKeyULUUUDJRAUOUSP-DTWKUNHWSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate?
The IUPAC name of [(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate (CID 11446922) is [(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate.
What is the SMILES notation for [(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate?
The canonical SMILES for [(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate is CC(=O)OC[C@@H]1CC(=O)N2CCC[C@H]12.
What is the InChIKey of [(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate?
The InChIKey is ULUUUDJRAUOUSP-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(12)14-6-8-5-10(13)11-4-2-3-9(8)11/h8-9H,2-6H2,1H3/t8-,9+/m0/s1.
What are the key properties of [(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate?
[(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate has a molecular weight of 197.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate is sourced from PubChem (CID 11446922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).