methane;oxomethylazanium

C3H11NO — CID 158914612

IUPACmethane;oxomethylazanium
SMILESC.C.[NH3+][C-]=O
InChIInChI=1S/CH3NO.2CH4/c2-1-3;;/h2H3;2*1H4
InChIKeyJHBQFZSUFVSCHX-UHFFFAOYSA-N
MW77.13 g/mol
LogP-0.43
Rot. Bonds

About methane;oxomethylazanium

methane;oxomethylazanium (PubChem CID 158914612) has the molecular formula C3H11NO and a molecular weight of 77.13 g/mol. Its IUPAC name is methane;oxomethylazanium.

Molecular Properties

Compound Namemethane;oxomethylazanium
PubChem CID158914612
Molecular FormulaC3H11NO
Molecular Weight77.13 g/mol
Exact Mass77.08
IUPAC Namemethane;oxomethylazanium
SMILESC.C.[NH3+][C-]=O
InChIInChI=1S/CH3NO.2CH4/c2-1-3;;/h2H3;2*1H4
InChIKeyJHBQFZSUFVSCHX-UHFFFAOYSA-N
XLogP-0.43
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.13
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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hydroxymethanone;vanadium
CID 59094876
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CID 87059132
ethanone;zirconium
CID 158854782

Frequently Asked Questions

What is the IUPAC name of methane;oxomethylazanium?
The IUPAC name of methane;oxomethylazanium (CID 158914612) is methane;oxomethylazanium.
What is the SMILES notation for methane;oxomethylazanium?
The canonical SMILES for methane;oxomethylazanium is C.C.[NH3+][C-]=O.
What is the InChIKey of methane;oxomethylazanium?
The InChIKey is JHBQFZSUFVSCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO.2CH4/c2-1-3;;/h2H3;2*1H4.
What are the key properties of methane;oxomethylazanium?
methane;oxomethylazanium has a molecular weight of 77.13 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;oxomethylazanium is sourced from PubChem (CID 158914612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).