5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one

C10H16N2O2 — CID 123662811

IUPAC5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
SMILESO=C1CNC([C@H]2C[C@@H]3C[C@@H]3[C@@H]2O)CN1
InChIInChI=1S/C10H16N2O2/c13-9-4-11-8(3-12-9)7-2-5-1-6(5)10(7)14/h5-8,10-11,14H,1-4H2,(H,12,13)/t5-,6-,7+,8?,10-/m0/s1
InChIKeyQHEUXYFYBZTYHX-VVPWOGODSA-N
MW196.25 g/mol
LogP-0.91
Rot. Bonds1

About 5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one

5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one (PubChem CID 123662811) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one.

Molecular Properties

Compound Name5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
PubChem CID123662811
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
SMILESO=C1CNC([C@H]2C[C@@H]3C[C@@H]3[C@@H]2O)CN1
InChIInChI=1S/C10H16N2O2/c13-9-4-11-8(3-12-9)7-2-5-1-6(5)10(7)14/h5-8,10-11,14H,1-4H2,(H,12,13)/t5-,6-,7+,8?,10-/m0/s1
InChIKeyQHEUXYFYBZTYHX-VVPWOGODSA-N
XLogP-0.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one?
The IUPAC name of 5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one (CID 123662811) is 5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one.
What is the SMILES notation for 5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one?
The canonical SMILES for 5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one is O=C1CNC([C@H]2C[C@@H]3C[C@@H]3[C@@H]2O)CN1.
What is the InChIKey of 5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one?
The InChIKey is QHEUXYFYBZTYHX-VVPWOGODSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-9-4-11-8(3-12-9)7-2-5-1-6(5)10(7)14/h5-8,10-11,14H,1-4H2,(H,12,13)/t5-,6-,7+,8?,10-/m0/s1.
What are the key properties of 5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one?
5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one has a molecular weight of 196.25 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one is sourced from PubChem (CID 123662811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).