methyl-(oxan-4-yl)-oxoazanium

C6H12NO2+ — CID 162003016

IUPACmethyl-(oxan-4-yl)-oxoazanium
SMILESC[N+](=O)C1CCOCC1
InChIInChI=1S/C6H12NO2/c1-7(8)6-2-4-9-5-3-6/h6H,2-5H2,1H3/q+1
InChIKeyRDPVJTWZZMTWLA-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.57
Rot. Bonds1

About methyl-(oxan-4-yl)-oxoazanium

methyl-(oxan-4-yl)-oxoazanium (PubChem CID 162003016) has the molecular formula C6H12NO2+ and a molecular weight of 130.17 g/mol. Its IUPAC name is methyl-(oxan-4-yl)-oxoazanium.

Molecular Properties

Compound Namemethyl-(oxan-4-yl)-oxoazanium
PubChem CID162003016
Molecular FormulaC6H12NO2+
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Namemethyl-(oxan-4-yl)-oxoazanium
SMILESC[N+](=O)C1CCOCC1
InChIInChI=1S/C6H12NO2/c1-7(8)6-2-4-9-5-3-6/h6H,2-5H2,1H3/q+1
InChIKeyRDPVJTWZZMTWLA-UHFFFAOYSA-N
XLogP0.57
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

cyclohexane;4-methyloxane
CID 144563977
methanamine;4-methyloxane
CID 139388754
[1-chloro-1-(oxan-4-yl)ethyl] hydrogen carbonate
CID 70818061
1,4-dioxane;nitromethane;trioxane
CID 88818330
4-cyclopropyloxane;ethane;N-methylacetamide
CID 157037598
N-methyloxane-4-carbohydrazide
CID 116845691
(2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde
CID 124709657
1-(oxan-4-yl)pentane-1,4-dione
CID 62387198
4-methyloxane
CID 91181599
1-cyano-N-methyl-N-(oxan-4-yl)formamide
CID 115172100
amino-methyl-(oxepan-4-ylimino)azanium
CID 144923487
ethane;methane;4-methyloxane;molecular hydrogen
CID 143791951

Frequently Asked Questions

What is the IUPAC name of methyl-(oxan-4-yl)-oxoazanium?
The IUPAC name of methyl-(oxan-4-yl)-oxoazanium (CID 162003016) is methyl-(oxan-4-yl)-oxoazanium.
What is the SMILES notation for methyl-(oxan-4-yl)-oxoazanium?
The canonical SMILES for methyl-(oxan-4-yl)-oxoazanium is C[N+](=O)C1CCOCC1.
What is the InChIKey of methyl-(oxan-4-yl)-oxoazanium?
The InChIKey is RDPVJTWZZMTWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2/c1-7(8)6-2-4-9-5-3-6/h6H,2-5H2,1H3/q+1.
What are the key properties of methyl-(oxan-4-yl)-oxoazanium?
methyl-(oxan-4-yl)-oxoazanium has a molecular weight of 130.17 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(oxan-4-yl)-oxoazanium is sourced from PubChem (CID 162003016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).