N-ethyl-N-methylcarbamoyl chloride

C4H8ClNO — CID 11240471

IUPACN-ethyl-N-methylcarbamoyl chloride
SMILESCCN(C)C(=O)Cl
InChIInChI=1S/C4H8ClNO/c1-3-6(2)4(5)7/h3H2,1-2H3
InChIKeyXZVYDRLPXWFRIS-UHFFFAOYSA-N
MW121.57 g/mol
LogP1.30
Rot. Bonds1

About N-ethyl-N-methylcarbamoyl chloride

N-ethyl-N-methylcarbamoyl chloride (PubChem CID 11240471) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is N-ethyl-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-ethyl-N-methylcarbamoyl chloride
PubChem CID11240471
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC NameN-ethyl-N-methylcarbamoyl chloride
SMILESCCN(C)C(=O)Cl
InChIInChI=1S/C4H8ClNO/c1-3-6(2)4(5)7/h3H2,1-2H3
InChIKeyXZVYDRLPXWFRIS-UHFFFAOYSA-N
XLogP1.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylcarbamoyl chloride?
The IUPAC name of N-ethyl-N-methylcarbamoyl chloride (CID 11240471) is N-ethyl-N-methylcarbamoyl chloride.
What is the SMILES notation for N-ethyl-N-methylcarbamoyl chloride?
The canonical SMILES for N-ethyl-N-methylcarbamoyl chloride is CCN(C)C(=O)Cl.
What is the InChIKey of N-ethyl-N-methylcarbamoyl chloride?
The InChIKey is XZVYDRLPXWFRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO/c1-3-6(2)4(5)7/h3H2,1-2H3.
What are the key properties of N-ethyl-N-methylcarbamoyl chloride?
N-ethyl-N-methylcarbamoyl chloride has a molecular weight of 121.57 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylcarbamoyl chloride is sourced from PubChem (CID 11240471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).