8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one

C10H18N2O — CID 58123595

IUPAC8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one
SMILES[CH2-][NH+]1CCCC2(CCCNC2=O)C1
InChIInChI=1S/C10H18N2O/c1-12-7-3-5-10(8-12)4-2-6-11-9(10)13/h12H,1-8H2,(H,11,13)
InChIKeyDHLBLGPUOXFWNA-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.65
Rot. Bonds

About 8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one

8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one (PubChem CID 58123595) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one
PubChem CID58123595
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one
SMILES[CH2-][NH+]1CCCC2(CCCNC2=O)C1
InChIInChI=1S/C10H18N2O/c1-12-7-3-5-10(8-12)4-2-6-11-9(10)13/h12H,1-8H2,(H,11,13)
InChIKeyDHLBLGPUOXFWNA-UHFFFAOYSA-N
XLogP-0.65
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one?
The IUPAC name of 8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one (CID 58123595) is 8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one.
What is the SMILES notation for 8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one?
The canonical SMILES for 8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one is [CH2-][NH+]1CCCC2(CCCNC2=O)C1.
What is the InChIKey of 8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one?
The InChIKey is DHLBLGPUOXFWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12-7-3-5-10(8-12)4-2-6-11-9(10)13/h12H,1-8H2,(H,11,13).
What are the key properties of 8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one?
8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one has a molecular weight of 182.27 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methanidyl-2-aza-8-azoniaspiro[5.5]undecan-1-one is sourced from PubChem (CID 58123595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).