methane;methyl N-(methylamino)carbamate

C4H12N2O2 — CID 157051214

IUPACmethane;methyl N-(methylamino)carbamate
SMILESC.CNNC(=O)OC
InChIInChI=1S/C3H8N2O2.CH4/c1-4-5-3(6)7-2;/h4H,1-2H3,(H,5,6);1H4
InChIKeyZQBGLOUGAKLTEL-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.11
Rot. Bonds1

About methane;methyl N-(methylamino)carbamate

methane;methyl N-(methylamino)carbamate (PubChem CID 157051214) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is methane;methyl N-(methylamino)carbamate.

Molecular Properties

Compound Namemethane;methyl N-(methylamino)carbamate
PubChem CID157051214
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Namemethane;methyl N-(methylamino)carbamate
SMILESC.CNNC(=O)OC
InChIInChI=1S/C3H8N2O2.CH4/c1-4-5-3(6)7-2;/h4H,1-2H3,(H,5,6);1H4
InChIKeyZQBGLOUGAKLTEL-UHFFFAOYSA-N
XLogP0.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;methyl N-(methylamino)carbamate?
The IUPAC name of methane;methyl N-(methylamino)carbamate (CID 157051214) is methane;methyl N-(methylamino)carbamate.
What is the SMILES notation for methane;methyl N-(methylamino)carbamate?
The canonical SMILES for methane;methyl N-(methylamino)carbamate is C.CNNC(=O)OC.
What is the InChIKey of methane;methyl N-(methylamino)carbamate?
The InChIKey is ZQBGLOUGAKLTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2.CH4/c1-4-5-3(6)7-2;/h4H,1-2H3,(H,5,6);1H4.
What are the key properties of methane;methyl N-(methylamino)carbamate?
methane;methyl N-(methylamino)carbamate has a molecular weight of 120.15 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl N-(methylamino)carbamate is sourced from PubChem (CID 157051214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).