methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane

C9H16N4O6 — CID 162238586

IUPACmethylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane
SMILESCN=C=O.CN=C=O.CNC(=O)OCOC(=O)NC
InChIInChI=1S/C5H10N2O4.2C2H3NO/c1-6-4(8)10-3-11-5(9)7-2;2*1-3-2-4/h3H2,1-2H3,(H,6,8)(H,7,9);2*1H3
InChIKeyZWJYJBRYFQLDBK-UHFFFAOYSA-N
MW276.25 g/mol
LogP-0.44
Rot. Bonds2

About methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane

methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane (PubChem CID 162238586) has the molecular formula C9H16N4O6 and a molecular weight of 276.25 g/mol. Its IUPAC name is methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane.

Molecular Properties

Compound Namemethylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane
PubChem CID162238586
Molecular FormulaC9H16N4O6
Molecular Weight276.25 g/mol
Exact Mass276.11
IUPAC Namemethylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane
SMILESCN=C=O.CN=C=O.CNC(=O)OCOC(=O)NC
InChIInChI=1S/C5H10N2O4.2C2H3NO/c1-6-4(8)10-3-11-5(9)7-2;2*1-3-2-4/h3H2,1-2H3,(H,6,8)(H,7,9);2*1H3
InChIKeyZWJYJBRYFQLDBK-UHFFFAOYSA-N
XLogP-0.44
TPSA135.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

methylcarbamic acid;methylimino(oxo)methane
CID 161055798
methylcarbamoyloxymethyl 2,2-dimethylpropanoate
CID 126555369
N-methylcarbamoyl chloride;methylimino(oxo)methane
CID 162155810
methylimino(oxo)methane;N-methylmethanamine
CID 172719912
ethane;propyl N-methylcarbamate
CID 142560404
iodomethyl N-methylcarbamate
CID 88927146
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate
CID 175278368
ethyl N-methylcarbamate;formaldehyde
CID 160650405
ethane;bis(methyl N-methylcarbamate)
CID 91355167
2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 91490198
molecular hydrogen;2-oxopropyl N-methylcarbamate
CID 163964571

Frequently Asked Questions

What is the IUPAC name of methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane?
The IUPAC name of methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane (CID 162238586) is methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane.
What is the SMILES notation for methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane?
The canonical SMILES for methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane is CN=C=O.CN=C=O.CNC(=O)OCOC(=O)NC.
What is the InChIKey of methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane?
The InChIKey is ZWJYJBRYFQLDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4.2C2H3NO/c1-6-4(8)10-3-11-5(9)7-2;2*1-3-2-4/h3H2,1-2H3,(H,6,8)(H,7,9);2*1H3.
What are the key properties of methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane?
methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane has a molecular weight of 276.25 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane is sourced from PubChem (CID 162238586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).