N-(methoxymethyl)-N-methylcarbamoyl chloride

C4H8ClNO2 — CID 20522240

IUPACN-(methoxymethyl)-N-methylcarbamoyl chloride
SMILESCOCN(C)C(=O)Cl
InChIInChI=1S/C4H8ClNO2/c1-6(3-8-2)4(5)7/h3H2,1-2H3
InChIKeyQNXQVLFWRVUENR-UHFFFAOYSA-N
MW137.57 g/mol
LogP0.88
Rot. Bonds2

About N-(methoxymethyl)-N-methylcarbamoyl chloride

N-(methoxymethyl)-N-methylcarbamoyl chloride (PubChem CID 20522240) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is N-(methoxymethyl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(methoxymethyl)-N-methylcarbamoyl chloride
PubChem CID20522240
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC NameN-(methoxymethyl)-N-methylcarbamoyl chloride
SMILESCOCN(C)C(=O)Cl
InChIInChI=1S/C4H8ClNO2/c1-6(3-8-2)4(5)7/h3H2,1-2H3
InChIKeyQNXQVLFWRVUENR-UHFFFAOYSA-N
XLogP0.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(methoxymethyl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(methoxymethyl)-N-methylcarbamoyl chloride (CID 20522240) is N-(methoxymethyl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(methoxymethyl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(methoxymethyl)-N-methylcarbamoyl chloride is COCN(C)C(=O)Cl.
What is the InChIKey of N-(methoxymethyl)-N-methylcarbamoyl chloride?
The InChIKey is QNXQVLFWRVUENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO2/c1-6(3-8-2)4(5)7/h3H2,1-2H3.
What are the key properties of N-(methoxymethyl)-N-methylcarbamoyl chloride?
N-(methoxymethyl)-N-methylcarbamoyl chloride has a molecular weight of 137.57 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 20522240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).