methyl N-(deuteriomethyl)-N-methylcarbamate

C4H9NO2 — CID 59907912

IUPACmethyl N-(deuteriomethyl)-N-methylcarbamate
SMILES[2H]CN(C)C(=O)OC
InChIInChI=1S/C4H9NO2/c1-5(2)4(6)7-3/h1-3H3/i1D
InChIKeySELYJABLPLKXOY-MICDWDOJSA-N
MW104.13 g/mol
LogP0.31
Rot. Bonds1

About methyl N-(deuteriomethyl)-N-methylcarbamate

methyl N-(deuteriomethyl)-N-methylcarbamate (PubChem CID 59907912) has the molecular formula C4H9NO2 and a molecular weight of 104.13 g/mol. Its IUPAC name is methyl N-(deuteriomethyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(deuteriomethyl)-N-methylcarbamate
PubChem CID59907912
Molecular FormulaC4H9NO2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Namemethyl N-(deuteriomethyl)-N-methylcarbamate
SMILES[2H]CN(C)C(=O)OC
InChIInChI=1S/C4H9NO2/c1-5(2)4(6)7-3/h1-3H3/i1D
InChIKeySELYJABLPLKXOY-MICDWDOJSA-N
XLogP0.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-(deuteriomethyl)-N-methylcarbamate?
The IUPAC name of methyl N-(deuteriomethyl)-N-methylcarbamate (CID 59907912) is methyl N-(deuteriomethyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(deuteriomethyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(deuteriomethyl)-N-methylcarbamate is [2H]CN(C)C(=O)OC.
What is the InChIKey of methyl N-(deuteriomethyl)-N-methylcarbamate?
The InChIKey is SELYJABLPLKXOY-MICDWDOJSA-N. The full InChI is InChI=1S/C4H9NO2/c1-5(2)4(6)7-3/h1-3H3/i1D.
What are the key properties of methyl N-(deuteriomethyl)-N-methylcarbamate?
methyl N-(deuteriomethyl)-N-methylcarbamate has a molecular weight of 104.13 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(deuteriomethyl)-N-methylcarbamate is sourced from PubChem (CID 59907912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).