1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid

C7H14N2O5S — CID 161238757

IUPAC1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid
SMILESO=C1CCCC12CCNN2.O=S(=O)(O)O
InChIInChI=1S/C7H12N2O.H2O4S/c10-6-2-1-3-7(6)4-5-8-9-7;1-5(2,3)4/h8-9H,1-5H2;(H2,1,2,3,4)
InChIKeyUZSIJMCGPRLFPE-UHFFFAOYSA-N
MW238.26 g/mol
LogP-0.68
Rot. Bonds

About 1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid

1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid (PubChem CID 161238757) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid.

Molecular Properties

Compound Name1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid
PubChem CID161238757
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid
SMILESO=C1CCCC12CCNN2.O=S(=O)(O)O
InChIInChI=1S/C7H12N2O.H2O4S/c10-6-2-1-3-7(6)4-5-8-9-7;1-5(2,3)4/h8-9H,1-5H2;(H2,1,2,3,4)
InChIKeyUZSIJMCGPRLFPE-UHFFFAOYSA-N
XLogP-0.68
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 115018345
(2R)-2-hydroxy-2-methylcyclopentan-1-one
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CID 158678479
(5R)-9-methylidenespiro[4.4]nonan-4-one
CID 101143196
(1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione
CID 130765311
2,3,3-trihydroxy-2-methylcyclohexan-1-one
CID 67931536
2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol
CID 90417728
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CID 70395621

Frequently Asked Questions

What is the IUPAC name of 1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid?
The IUPAC name of 1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid (CID 161238757) is 1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid.
What is the SMILES notation for 1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid?
The canonical SMILES for 1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid is O=C1CCCC12CCNN2.O=S(=O)(O)O.
What is the InChIKey of 1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid?
The InChIKey is UZSIJMCGPRLFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.H2O4S/c10-6-2-1-3-7(6)4-5-8-9-7;1-5(2,3)4/h8-9H,1-5H2;(H2,1,2,3,4).
What are the key properties of 1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid?
1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid has a molecular weight of 238.26 g/mol, XLogP of -0.68, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazaspiro[4.4]nonan-9-one;sulfuric acid is sourced from PubChem (CID 161238757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).