[(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate

C10H19NO3S — CID 6435373

IUPAC[(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate
SMILESCS(=O)(=O)[O-].[NH3+]C1C2CC/C=C\CCC12
InChIInChI=1S/C9H15N.CH4O3S/c10-9-7-5-3-1-2-4-6-8(7)9;1-5(2,3)4/h1-2,7-9H,3-6,10H2;1H3,(H,2,3,4)/b2-1-;
InChIKeyRZEJSQGXXZSIRK-ODZAUARKSA-N
MW233.33 g/mol
LogP0.13
Rot. Bonds

About [(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate

[(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate (PubChem CID 6435373) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is [(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate.

Molecular Properties

Compound Name[(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate
PubChem CID6435373
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name[(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate
SMILESCS(=O)(=O)[O-].[NH3+]C1C2CC/C=C\CCC12
InChIInChI=1S/C9H15N.CH4O3S/c10-9-7-5-3-1-2-4-6-8(7)9;1-5(2,3)4/h1-2,7-9H,3-6,10H2;1H3,(H,2,3,4)/b2-1-;
InChIKeyRZEJSQGXXZSIRK-ODZAUARKSA-N
XLogP0.13
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate?
The IUPAC name of [(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate (CID 6435373) is [(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate.
What is the SMILES notation for [(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate?
The canonical SMILES for [(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate is CS(=O)(=O)[O-].[NH3+]C1C2CC/C=C\CCC12.
What is the InChIKey of [(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate?
The InChIKey is RZEJSQGXXZSIRK-ODZAUARKSA-N. The full InChI is InChI=1S/C9H15N.CH4O3S/c10-9-7-5-3-1-2-4-6-8(7)9;1-5(2,3)4/h1-2,7-9H,3-6,10H2;1H3,(H,2,3,4)/b2-1-;.
What are the key properties of [(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate?
[(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate has a molecular weight of 233.33 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-9-bicyclo[6.1.0]non-4-enyl]azanium;methanesulfonate is sourced from PubChem (CID 6435373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).