methyl N-methyl-N-phosphorosocarbamate

C3H6NO3P — CID 174678837

IUPACmethyl N-methyl-N-phosphorosocarbamate
SMILESCOC(=O)N(C)P=O
InChIInChI=1S/C3H6NO3P/c1-4(8-6)3(5)7-2/h1-2H3
InChIKeyPALFFGGWNFHIQW-UHFFFAOYSA-N
MW135.06 g/mol
LogP0.89
Rot. Bonds1

About methyl N-methyl-N-phosphorosocarbamate

methyl N-methyl-N-phosphorosocarbamate (PubChem CID 174678837) has the molecular formula C3H6NO3P and a molecular weight of 135.06 g/mol. Its IUPAC name is methyl N-methyl-N-phosphorosocarbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-phosphorosocarbamate
PubChem CID174678837
Molecular FormulaC3H6NO3P
Molecular Weight135.06 g/mol
Exact Mass135.01
IUPAC Namemethyl N-methyl-N-phosphorosocarbamate
SMILESCOC(=O)N(C)P=O
InChIInChI=1S/C3H6NO3P/c1-4(8-6)3(5)7-2/h1-2H3
InChIKeyPALFFGGWNFHIQW-UHFFFAOYSA-N
XLogP0.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.06
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(disulfanyl)-N-methylcarbamate
CID 90808667
1-methyl-1-phosphorosourea
CID 152798970
diiodovanadium;methyl N,N-dimethylcarbamate
CID 159062292
methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 79387762
methyl N-methyl-N-trimethoxysilylcarbamate
CID 87336314
methyl N-(chloromethyl)-N-methylcarbamate
CID 12631503
methyl N-methyl-N-sulfamoylcarbamate
CID 88598186
methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
methoxy-[methyl(sulfinato)amino]-oxomethane
CID 57041813
methyl N,N-ditert-butylcarbamate
CID 12567954
methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride
CID 174628229
methyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684648

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-phosphorosocarbamate?
The IUPAC name of methyl N-methyl-N-phosphorosocarbamate (CID 174678837) is methyl N-methyl-N-phosphorosocarbamate.
What is the SMILES notation for methyl N-methyl-N-phosphorosocarbamate?
The canonical SMILES for methyl N-methyl-N-phosphorosocarbamate is COC(=O)N(C)P=O.
What is the InChIKey of methyl N-methyl-N-phosphorosocarbamate?
The InChIKey is PALFFGGWNFHIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3P/c1-4(8-6)3(5)7-2/h1-2H3.
What are the key properties of methyl N-methyl-N-phosphorosocarbamate?
methyl N-methyl-N-phosphorosocarbamate has a molecular weight of 135.06 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-phosphorosocarbamate is sourced from PubChem (CID 174678837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).