1-azaspiro[4.5]dec-2-ene;methanesulfonic acid

C10H19NO3S — CID 87369608

IUPAC1-azaspiro[4.5]dec-2-ene;methanesulfonic acid
SMILESC1=CNC2(C1)CCCCC2.CS(=O)(=O)O
InChIInChI=1S/C9H15N.CH4O3S/c1-2-5-9(6-3-1)7-4-8-10-9;1-5(2,3)4/h4,8,10H,1-3,5-7H2;1H3,(H,2,3,4)
InChIKeyLQQADZWJFMCIJE-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.70
Rot. Bonds

About 1-azaspiro[4.5]dec-2-ene;methanesulfonic acid

1-azaspiro[4.5]dec-2-ene;methanesulfonic acid (PubChem CID 87369608) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-azaspiro[4.5]dec-2-ene;methanesulfonic acid.

Molecular Properties

Compound Name1-azaspiro[4.5]dec-2-ene;methanesulfonic acid
PubChem CID87369608
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-azaspiro[4.5]dec-2-ene;methanesulfonic acid
SMILESC1=CNC2(C1)CCCCC2.CS(=O)(=O)O
InChIInChI=1S/C9H15N.CH4O3S/c1-2-5-9(6-3-1)7-4-8-10-9;1-5(2,3)4/h4,8,10H,1-3,5-7H2;1H3,(H,2,3,4)
InChIKeyLQQADZWJFMCIJE-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[4.5]dec-2-ene;methanesulfonic acid?
The IUPAC name of 1-azaspiro[4.5]dec-2-ene;methanesulfonic acid (CID 87369608) is 1-azaspiro[4.5]dec-2-ene;methanesulfonic acid.
What is the SMILES notation for 1-azaspiro[4.5]dec-2-ene;methanesulfonic acid?
The canonical SMILES for 1-azaspiro[4.5]dec-2-ene;methanesulfonic acid is C1=CNC2(C1)CCCCC2.CS(=O)(=O)O.
What is the InChIKey of 1-azaspiro[4.5]dec-2-ene;methanesulfonic acid?
The InChIKey is LQQADZWJFMCIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.CH4O3S/c1-2-5-9(6-3-1)7-4-8-10-9;1-5(2,3)4/h4,8,10H,1-3,5-7H2;1H3,(H,2,3,4).
What are the key properties of 1-azaspiro[4.5]dec-2-ene;methanesulfonic acid?
1-azaspiro[4.5]dec-2-ene;methanesulfonic acid has a molecular weight of 233.33 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[4.5]dec-2-ene;methanesulfonic acid is sourced from PubChem (CID 87369608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).