5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C7H11NO2 — CID 558383

IUPAC5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CCC2CCC(O)N12
InChIInChI=1S/C7H11NO2/c9-6-3-1-5-2-4-7(10)8(5)6/h5-6,9H,1-4H2
InChIKeyDVXYURHYLCRZHR-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.09
Rot. Bonds

About 5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 558383) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID558383
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CCC2CCC(O)N12
InChIInChI=1S/C7H11NO2/c9-6-3-1-5-2-4-7(10)8(5)6/h5-6,9H,1-4H2
InChIKeyDVXYURHYLCRZHR-UHFFFAOYSA-N
XLogP0.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 558383) is 5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1CCC2CCC(O)N12.
What is the InChIKey of 5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is DVXYURHYLCRZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6-3-1-5-2-4-7(10)8(5)6/h5-6,9H,1-4H2.
What are the key properties of 5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 141.17 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 558383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).