[(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate

C10H17NO3 — CID 91749425

IUPAC[(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CCN2CC[C@@H](O)C12
InChIInChI=1S/C10H17NO3/c1-7(12)14-6-8-2-4-11-5-3-9(13)10(8)11/h8-10,13H,2-6H2,1H3/t8-,9-,10?/m1/s1
InChIKeyWUMANOURGAZXKZ-MGRQHWMJSA-N
MW199.25 g/mol
LogP0.00
Rot. Bonds2

About [(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate

[(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate (PubChem CID 91749425) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate.

Molecular Properties

Compound Name[(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate
PubChem CID91749425
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CCN2CC[C@@H](O)C12
InChIInChI=1S/C10H17NO3/c1-7(12)14-6-8-2-4-11-5-3-9(13)10(8)11/h8-10,13H,2-6H2,1H3/t8-,9-,10?/m1/s1
InChIKeyWUMANOURGAZXKZ-MGRQHWMJSA-N
XLogP0.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate?
The IUPAC name of [(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate (CID 91749425) is [(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate.
What is the SMILES notation for [(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate?
The canonical SMILES for [(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate is CC(=O)OC[C@H]1CCN2CC[C@@H](O)C12.
What is the InChIKey of [(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate?
The InChIKey is WUMANOURGAZXKZ-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(12)14-6-8-2-4-11-5-3-9(13)10(8)11/h8-10,13H,2-6H2,1H3/t8-,9-,10?/m1/s1.
What are the key properties of [(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate?
[(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate has a molecular weight of 199.25 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate is sourced from PubChem (CID 91749425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).