methane;N-methoxy-N-(methylamino)nitrous amide

C3H11N3O2 — CID 162233258

IUPACmethane;N-methoxy-N-(methylamino)nitrous amide
SMILESC.CNN(N=O)OC
InChIInChI=1S/C2H7N3O2.CH4/c1-3-5(4-6)7-2;/h3H,1-2H3;1H4
InChIKeyZVSJQGDQGFYFEE-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.30
Rot. Bonds3

About methane;N-methoxy-N-(methylamino)nitrous amide

methane;N-methoxy-N-(methylamino)nitrous amide (PubChem CID 162233258) has the molecular formula C3H11N3O2 and a molecular weight of 121.14 g/mol. Its IUPAC name is methane;N-methoxy-N-(methylamino)nitrous amide.

Molecular Properties

Compound Namemethane;N-methoxy-N-(methylamino)nitrous amide
PubChem CID162233258
Molecular FormulaC3H11N3O2
Molecular Weight121.14 g/mol
Exact Mass121.09
IUPAC Namemethane;N-methoxy-N-(methylamino)nitrous amide
SMILESC.CNN(N=O)OC
InChIInChI=1S/C2H7N3O2.CH4/c1-3-5(4-6)7-2;/h3H,1-2H3;1H4
InChIKeyZVSJQGDQGFYFEE-UHFFFAOYSA-N
XLogP0.30
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;N-methoxy-N-(methylamino)nitrous amide?
The IUPAC name of methane;N-methoxy-N-(methylamino)nitrous amide (CID 162233258) is methane;N-methoxy-N-(methylamino)nitrous amide.
What is the SMILES notation for methane;N-methoxy-N-(methylamino)nitrous amide?
The canonical SMILES for methane;N-methoxy-N-(methylamino)nitrous amide is C.CNN(N=O)OC.
What is the InChIKey of methane;N-methoxy-N-(methylamino)nitrous amide?
The InChIKey is ZVSJQGDQGFYFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3O2.CH4/c1-3-5(4-6)7-2;/h3H,1-2H3;1H4.
What are the key properties of methane;N-methoxy-N-(methylamino)nitrous amide?
methane;N-methoxy-N-(methylamino)nitrous amide has a molecular weight of 121.14 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methoxy-N-(methylamino)nitrous amide is sourced from PubChem (CID 162233258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).