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

C10H14N2O2 — CID 67112052

IUPAC1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
SMILESO=C1[C@H]2C[C@@H]2C[C@@H]1N1CCNCC1=O
InChIInChI=1S/C10H14N2O2/c13-9-5-11-1-2-12(9)8-4-6-3-7(6)10(8)14/h6-8,11H,1-5H2/t6-,7+,8+/m1/s1
InChIKeySBSCRBYZADJYDQ-CSMHCCOUSA-N
MW194.23 g/mol
LogP-0.60
Rot. Bonds1

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

1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one (PubChem CID 67112052) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
PubChem CID67112052
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
SMILESO=C1[C@H]2C[C@@H]2C[C@@H]1N1CCNCC1=O
InChIInChI=1S/C10H14N2O2/c13-9-5-11-1-2-12(9)8-4-6-3-7(6)10(8)14/h6-8,11H,1-5H2/t6-,7+,8+/m1/s1
InChIKeySBSCRBYZADJYDQ-CSMHCCOUSA-N
XLogP-0.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one?
The IUPAC name of 1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one (CID 67112052) is 1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one.
What is the SMILES notation for 1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one?
The canonical SMILES for 1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one is O=C1[C@H]2C[C@@H]2C[C@@H]1N1CCNCC1=O.
What is the InChIKey of 1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one?
The InChIKey is SBSCRBYZADJYDQ-CSMHCCOUSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-5-11-1-2-12(9)8-4-6-3-7(6)10(8)14/h6-8,11H,1-5H2/t6-,7+,8+/m1/s1.
What are the key properties of 1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one?
1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one has a molecular weight of 194.23 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one is sourced from PubChem (CID 67112052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).