methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate

C10H20N4O6 — CID 157492841

IUPACmethylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate
SMILESCN=C=O.CNC(=O)N(C)C(=O)OC.CNC(=O)OC
InChIInChI=1S/C5H10N2O3.C3H7NO2.C2H3NO/c1-6-4(8)7(2)5(9)10-3;1-4-3(5)6-2;1-3-2-4/h1-3H3,(H,6,8);1-2H3,(H,4,5);1H3
InChIKeyBXMHASUZWOCXNU-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.05
Rot. Bonds

About methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate

methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate (PubChem CID 157492841) has the molecular formula C10H20N4O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate.

Molecular Properties

Compound Namemethylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate
PubChem CID157492841
Molecular FormulaC10H20N4O6
Molecular Weight292.29 g/mol
Exact Mass292.14
IUPAC Namemethylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate
SMILESCN=C=O.CNC(=O)N(C)C(=O)OC.CNC(=O)OC
InChIInChI=1S/C5H10N2O3.C3H7NO2.C2H3NO/c1-6-4(8)7(2)5(9)10-3;1-4-3(5)6-2;1-3-2-4/h1-3H3,(H,6,8);1-2H3,(H,4,5);1H3
InChIKeyBXMHASUZWOCXNU-UHFFFAOYSA-N
XLogP-0.05
TPSA126.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate?
The IUPAC name of methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate (CID 157492841) is methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate.
What is the SMILES notation for methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate?
The canonical SMILES for methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate is CN=C=O.CNC(=O)N(C)C(=O)OC.CNC(=O)OC.
What is the InChIKey of methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate?
The InChIKey is BXMHASUZWOCXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.C3H7NO2.C2H3NO/c1-6-4(8)7(2)5(9)10-3;1-4-3(5)6-2;1-3-2-4/h1-3H3,(H,6,8);1-2H3,(H,4,5);1H3.
What are the key properties of methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate?
methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate has a molecular weight of 292.29 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate is sourced from PubChem (CID 157492841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).