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

C7H11NO2 — CID 69211100

IUPAC(1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C[C@H](O)C2CCCN12
InChIInChI=1S/C7H11NO2/c9-6-4-7(10)8-3-1-2-5(6)8/h5-6,9H,1-4H2/t5?,6-/m0/s1
InChIKeyWHRVGBMTDGBUGH-GDVGLLTNSA-N
MW141.17 g/mol
LogP-0.26
Rot. Bonds

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

(1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 69211100) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID69211100
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C[C@H](O)C2CCCN12
InChIInChI=1S/C7H11NO2/c9-6-4-7(10)8-3-1-2-5(6)8/h5-6,9H,1-4H2/t5?,6-/m0/s1
InChIKeyWHRVGBMTDGBUGH-GDVGLLTNSA-N
XLogP-0.26
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 ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 69211100) is (1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1C[C@H](O)C2CCCN12.
What is the InChIKey of (1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is WHRVGBMTDGBUGH-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6-4-7(10)8-3-1-2-5(6)8/h5-6,9H,1-4H2/t5?,6-/m0/s1.
What are the key properties of (1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 141.17 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 69211100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).