2-aza-8-azoniaspiro[4.5]decane-1,3-dione

C8H13N2O2+ — CID 143722257

IUPAC2-aza-8-azoniaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CC[NH2+]CC2)C(=O)N1
InChIInChI=1S/C8H12N2O2/c11-6-5-8(7(12)10-6)1-3-9-4-2-8/h9H,1-5H2,(H,10,11,12)/p+1
InChIKeyWODIALSWFWKWMM-UHFFFAOYSA-O
MW169.20 g/mol
LogP-1.62
Rot. Bonds

About 2-aza-8-azoniaspiro[4.5]decane-1,3-dione

2-aza-8-azoniaspiro[4.5]decane-1,3-dione (PubChem CID 143722257) has the molecular formula C8H13N2O2+ and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-aza-8-azoniaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-aza-8-azoniaspiro[4.5]decane-1,3-dione
PubChem CID143722257
Molecular FormulaC8H13N2O2+
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name2-aza-8-azoniaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CC[NH2+]CC2)C(=O)N1
InChIInChI=1S/C8H12N2O2/c11-6-5-8(7(12)10-6)1-3-9-4-2-8/h9H,1-5H2,(H,10,11,12)/p+1
InChIKeyWODIALSWFWKWMM-UHFFFAOYSA-O
XLogP-1.62
TPSA62.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aza-8-azoniaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-aza-8-azoniaspiro[4.5]decane-1,3-dione (CID 143722257) is 2-aza-8-azoniaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-aza-8-azoniaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-aza-8-azoniaspiro[4.5]decane-1,3-dione is O=C1CC2(CC[NH2+]CC2)C(=O)N1.
What is the InChIKey of 2-aza-8-azoniaspiro[4.5]decane-1,3-dione?
The InChIKey is WODIALSWFWKWMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12N2O2/c11-6-5-8(7(12)10-6)1-3-9-4-2-8/h9H,1-5H2,(H,10,11,12)/p+1.
What are the key properties of 2-aza-8-azoniaspiro[4.5]decane-1,3-dione?
2-aza-8-azoniaspiro[4.5]decane-1,3-dione has a molecular weight of 169.20 g/mol, XLogP of -1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aza-8-azoniaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 143722257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).