methyl-(methylamino)-oxoazanium

C2H7N2O+ — CID 18720485

IUPACmethyl-(methylamino)-oxoazanium
SMILESCN[N+](C)=O
InChIInChI=1S/C2H7N2O/c1-3-4(2)5/h1-2H3,(H,3,5)/q+1
InChIKeyBYXVBRRSMFHWBC-UHFFFAOYSA-N
MW75.09 g/mol
LogP-0.47
Rot. Bonds1

About methyl-(methylamino)-oxoazanium

methyl-(methylamino)-oxoazanium (PubChem CID 18720485) has the molecular formula C2H7N2O+ and a molecular weight of 75.09 g/mol. Its IUPAC name is methyl-(methylamino)-oxoazanium.

Molecular Properties

Compound Namemethyl-(methylamino)-oxoazanium
PubChem CID18720485
Molecular FormulaC2H7N2O+
Molecular Weight75.09 g/mol
Exact Mass75.06
IUPAC Namemethyl-(methylamino)-oxoazanium
SMILESCN[N+](C)=O
InChIInChI=1S/C2H7N2O/c1-3-4(2)5/h1-2H3,(H,3,5)/q+1
InChIKeyBYXVBRRSMFHWBC-UHFFFAOYSA-N
XLogP-0.47
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.09
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(methylamino)-oxoazanium?
The IUPAC name of methyl-(methylamino)-oxoazanium (CID 18720485) is methyl-(methylamino)-oxoazanium.
What is the SMILES notation for methyl-(methylamino)-oxoazanium?
The canonical SMILES for methyl-(methylamino)-oxoazanium is CN[N+](C)=O.
What is the InChIKey of methyl-(methylamino)-oxoazanium?
The InChIKey is BYXVBRRSMFHWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N2O/c1-3-4(2)5/h1-2H3,(H,3,5)/q+1.
What are the key properties of methyl-(methylamino)-oxoazanium?
methyl-(methylamino)-oxoazanium has a molecular weight of 75.09 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(methylamino)-oxoazanium is sourced from PubChem (CID 18720485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).