N-methylcarbamoyl chloride;methylimino(oxo)methane

C4H7ClN2O2 — CID 162155810

IUPACN-methylcarbamoyl chloride;methylimino(oxo)methane
SMILESCN=C=O.CNC(=O)Cl
InChIInChI=1S/C2H4ClNO.C2H3NO/c1-4-2(3)5;1-3-2-4/h1H3,(H,4,5);1H3
InChIKeyZLUQHGANLSBKLL-UHFFFAOYSA-N
MW150.56 g/mol
LogP0.52
Rot. Bonds

About N-methylcarbamoyl chloride;methylimino(oxo)methane

N-methylcarbamoyl chloride;methylimino(oxo)methane (PubChem CID 162155810) has the molecular formula C4H7ClN2O2 and a molecular weight of 150.56 g/mol. Its IUPAC name is N-methylcarbamoyl chloride;methylimino(oxo)methane.

Molecular Properties

Compound NameN-methylcarbamoyl chloride;methylimino(oxo)methane
PubChem CID162155810
Molecular FormulaC4H7ClN2O2
Molecular Weight150.56 g/mol
Exact Mass150.02
IUPAC NameN-methylcarbamoyl chloride;methylimino(oxo)methane
SMILESCN=C=O.CNC(=O)Cl
InChIInChI=1S/C2H4ClNO.C2H3NO/c1-4-2(3)5;1-3-2-4/h1H3,(H,4,5);1H3
InChIKeyZLUQHGANLSBKLL-UHFFFAOYSA-N
XLogP0.52
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methylcarbamic acid;methylimino(oxo)methane
CID 161055798
methylimino(oxo)methane;N-methylmethanamine
CID 172719912
methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane
CID 162238586
methylimino(oxo)methane;2-methylpropan-2-ol
CID 91600333
carbonyl dichloride;N-methylmethanamine
CID 157447004
chloro methanesulfinate;isocyanato methanesulfinate;methyl carbonochloridate;methylimino(oxo)methane
CID 91435639
iodoform;methylimino(oxo)methane
CID 123231601
methylimino(oxo)methane;propane-1,2,3-triol
CID 175123227
bis(carbonochloridic acid);ethane
CID 175169391
N,N'-dimethylcarbamimidoyl chloride;hydrochloride
CID 14852963
ethane;methane;N-methylacetamide
CID 159401147
1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,3-dimethylurea;methylimino(oxo)methane
CID 20543515

Frequently Asked Questions

What is the IUPAC name of N-methylcarbamoyl chloride;methylimino(oxo)methane?
The IUPAC name of N-methylcarbamoyl chloride;methylimino(oxo)methane (CID 162155810) is N-methylcarbamoyl chloride;methylimino(oxo)methane.
What is the SMILES notation for N-methylcarbamoyl chloride;methylimino(oxo)methane?
The canonical SMILES for N-methylcarbamoyl chloride;methylimino(oxo)methane is CN=C=O.CNC(=O)Cl.
What is the InChIKey of N-methylcarbamoyl chloride;methylimino(oxo)methane?
The InChIKey is ZLUQHGANLSBKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClNO.C2H3NO/c1-4-2(3)5;1-3-2-4/h1H3,(H,4,5);1H3.
What are the key properties of N-methylcarbamoyl chloride;methylimino(oxo)methane?
N-methylcarbamoyl chloride;methylimino(oxo)methane has a molecular weight of 150.56 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcarbamoyl chloride;methylimino(oxo)methane is sourced from PubChem (CID 162155810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).