trimethyl-(3-oxocyclopentyl)azanium

C8H16NO+ — CID 174527503

IUPACtrimethyl-(3-oxocyclopentyl)azanium
SMILESC[N+](C)(C)C1CCC(=O)C1
InChIInChI=1S/C8H16NO/c1-9(2,3)7-4-5-8(10)6-7/h7H,4-6H2,1-3H3/q+1
InChIKeyWMUONNUILRUEOY-UHFFFAOYSA-N
MW142.22 g/mol
LogP0.81
Rot. Bonds1

About trimethyl-(3-oxocyclopentyl)azanium

trimethyl-(3-oxocyclopentyl)azanium (PubChem CID 174527503) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is trimethyl-(3-oxocyclopentyl)azanium.

Molecular Properties

Compound Nametrimethyl-(3-oxocyclopentyl)azanium
PubChem CID174527503
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Nametrimethyl-(3-oxocyclopentyl)azanium
SMILESC[N+](C)(C)C1CCC(=O)C1
InChIInChI=1S/C8H16NO/c1-9(2,3)7-4-5-8(10)6-7/h7H,4-6H2,1-3H3/q+1
InChIKeyWMUONNUILRUEOY-UHFFFAOYSA-N
XLogP0.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(3-oxocyclopentyl)azanium?
The IUPAC name of trimethyl-(3-oxocyclopentyl)azanium (CID 174527503) is trimethyl-(3-oxocyclopentyl)azanium.
What is the SMILES notation for trimethyl-(3-oxocyclopentyl)azanium?
The canonical SMILES for trimethyl-(3-oxocyclopentyl)azanium is C[N+](C)(C)C1CCC(=O)C1.
What is the InChIKey of trimethyl-(3-oxocyclopentyl)azanium?
The InChIKey is WMUONNUILRUEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-9(2,3)7-4-5-8(10)6-7/h7H,4-6H2,1-3H3/q+1.
What are the key properties of trimethyl-(3-oxocyclopentyl)azanium?
trimethyl-(3-oxocyclopentyl)azanium has a molecular weight of 142.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-oxocyclopentyl)azanium is sourced from PubChem (CID 174527503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).