methyl N-(methoxymethyl)-N-methylcarbamate

C5H11NO3 — CID 12711200

IUPACmethyl N-(methoxymethyl)-N-methylcarbamate
SMILESCOCN(C)C(=O)OC
InChIInChI=1S/C5H11NO3/c1-6(4-8-2)5(7)9-3/h4H2,1-3H3
InChIKeyBVHACADCJRBMDV-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.29
Rot. Bonds2

About methyl N-(methoxymethyl)-N-methylcarbamate

methyl N-(methoxymethyl)-N-methylcarbamate (PubChem CID 12711200) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is methyl N-(methoxymethyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(methoxymethyl)-N-methylcarbamate
PubChem CID12711200
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namemethyl N-(methoxymethyl)-N-methylcarbamate
SMILESCOCN(C)C(=O)OC
InChIInChI=1S/C5H11NO3/c1-6(4-8-2)5(7)9-3/h4H2,1-3H3
InChIKeyBVHACADCJRBMDV-UHFFFAOYSA-N
XLogP0.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(methoxymethyl)-N-methylcarbamate?
The IUPAC name of methyl N-(methoxymethyl)-N-methylcarbamate (CID 12711200) is methyl N-(methoxymethyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(methoxymethyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(methoxymethyl)-N-methylcarbamate is COCN(C)C(=O)OC.
What is the InChIKey of methyl N-(methoxymethyl)-N-methylcarbamate?
The InChIKey is BVHACADCJRBMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6(4-8-2)5(7)9-3/h4H2,1-3H3.
What are the key properties of methyl N-(methoxymethyl)-N-methylcarbamate?
methyl N-(methoxymethyl)-N-methylcarbamate has a molecular weight of 133.15 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(methoxymethyl)-N-methylcarbamate is sourced from PubChem (CID 12711200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).