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

C10H17ClN2O — CID 67085216

IUPAC1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C1C[C@H]2C[C@@H]2C1
InChIInChI=1S/C10H16N2O.ClH/c13-10-6-11-1-2-12(10)9-4-7-3-8(7)5-9;/h7-9,11H,1-6H2;1H/t7-,8-;/m1./s1
InChIKeySJTMJFUAKZQURX-SCLLHFNJSA-N
MW216.71 g/mol
LogP0.64
Rot. Bonds1

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

1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride (PubChem CID 67085216) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride
PubChem CID67085216
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C1C[C@H]2C[C@@H]2C1
InChIInChI=1S/C10H16N2O.ClH/c13-10-6-11-1-2-12(10)9-4-7-3-8(7)5-9;/h7-9,11H,1-6H2;1H/t7-,8-;/m1./s1
InChIKeySJTMJFUAKZQURX-SCLLHFNJSA-N
XLogP0.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride (CID 67085216) is 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride is Cl.O=C1CNCCN1C1C[C@H]2C[C@@H]2C1.
What is the InChIKey of 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride?
The InChIKey is SJTMJFUAKZQURX-SCLLHFNJSA-N. The full InChI is InChI=1S/C10H16N2O.ClH/c13-10-6-11-1-2-12(10)9-4-7-3-8(7)5-9;/h7-9,11H,1-6H2;1H/t7-,8-;/m1./s1.
What are the key properties of 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride?
1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride has a molecular weight of 216.71 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 67085216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).