trimethyl-(6-oxocyclohexen-1-yl)azanium

C9H16NO+ — CID 23264560

IUPACtrimethyl-(6-oxocyclohexen-1-yl)azanium
SMILESC[N+](C)(C)C1=CCCCC1=O
InChIInChI=1S/C9H16NO/c1-10(2,3)8-6-4-5-7-9(8)11/h6H,4-5,7H2,1-3H3/q+1
InChIKeyLNPBCWQZKUANBH-UHFFFAOYSA-N
MW154.23 g/mol
LogP1.33
Rot. Bonds1

About trimethyl-(6-oxocyclohexen-1-yl)azanium

trimethyl-(6-oxocyclohexen-1-yl)azanium (PubChem CID 23264560) has the molecular formula C9H16NO+ and a molecular weight of 154.23 g/mol. Its IUPAC name is trimethyl-(6-oxocyclohexen-1-yl)azanium.

Molecular Properties

Compound Nametrimethyl-(6-oxocyclohexen-1-yl)azanium
PubChem CID23264560
Molecular FormulaC9H16NO+
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Nametrimethyl-(6-oxocyclohexen-1-yl)azanium
SMILESC[N+](C)(C)C1=CCCCC1=O
InChIInChI=1S/C9H16NO/c1-10(2,3)8-6-4-5-7-9(8)11/h6H,4-5,7H2,1-3H3/q+1
InChIKeyLNPBCWQZKUANBH-UHFFFAOYSA-N
XLogP1.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trimethyl-(6-oxocyclohexen-1-yl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Dimethylamino)cyclohex-2-en-1-one
CID 80219
2-(Methylamino)cyclohex-2-en-1-one
CID 12388955
2,5-Bis(Dimethylamino)-3-isobutylbenzo-1,4-quinone
CID 264277
2-(Diethylamino)cyclohex-2-en-1-one
CID 85610106
2-(Piperidin-1-yl)cyclohex-2-en-1-one
CID 12369519
3-(Diethylamino)cyclohex-2-en-1-one
CID 70555528
3-(Dibutylamino)cyclohex-2-en-1-one
CID 71394806
2-(Butylamino)cyclohex-2-en-1-one
CID 14641316
Ihsbykyrixmreg-uhfffaoysa-
CID 23264858
Ovjathlzkqnqdu-uhfffaoysa-
CID 23264859
2-(Pyrrolidin-1-yl)cyclohex-2-en-1-one
CID 12369521
2-(Dimethylamino)cyclohex-2-en-1-one
CID 12388954

Frequently Asked Questions

What is the IUPAC name of trimethyl-(6-oxocyclohexen-1-yl)azanium?
The IUPAC name of trimethyl-(6-oxocyclohexen-1-yl)azanium (CID 23264560) is trimethyl-(6-oxocyclohexen-1-yl)azanium.
What is the SMILES notation for trimethyl-(6-oxocyclohexen-1-yl)azanium?
The canonical SMILES for trimethyl-(6-oxocyclohexen-1-yl)azanium is C[N+](C)(C)C1=CCCCC1=O.
What is the InChIKey of trimethyl-(6-oxocyclohexen-1-yl)azanium?
The InChIKey is LNPBCWQZKUANBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO/c1-10(2,3)8-6-4-5-7-9(8)11/h6H,4-5,7H2,1-3H3/q+1.
What are the key properties of trimethyl-(6-oxocyclohexen-1-yl)azanium?
trimethyl-(6-oxocyclohexen-1-yl)azanium has a molecular weight of 154.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(6-oxocyclohexen-1-yl)azanium is sourced from PubChem (CID 23264560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).