N,N-bis(methoxymethyl)carbamoyl chloride

C5H10ClNO3 — CID 154138873

IUPACN,N-bis(methoxymethyl)carbamoyl chloride
SMILESCOCN(COC)C(=O)Cl
InChIInChI=1S/C5H10ClNO3/c1-9-3-7(4-10-2)5(6)8/h3-4H2,1-2H3
InChIKeyAWESKXAOZNSPDT-UHFFFAOYSA-N
MW167.59 g/mol
LogP0.86
Rot. Bonds4

About N,N-bis(methoxymethyl)carbamoyl chloride

N,N-bis(methoxymethyl)carbamoyl chloride (PubChem CID 154138873) has the molecular formula C5H10ClNO3 and a molecular weight of 167.59 g/mol. Its IUPAC name is N,N-bis(methoxymethyl)carbamoyl chloride.

Molecular Properties

Compound NameN,N-bis(methoxymethyl)carbamoyl chloride
PubChem CID154138873
Molecular FormulaC5H10ClNO3
Molecular Weight167.59 g/mol
Exact Mass167.03
IUPAC NameN,N-bis(methoxymethyl)carbamoyl chloride
SMILESCOCN(COC)C(=O)Cl
InChIInChI=1S/C5H10ClNO3/c1-9-3-7(4-10-2)5(6)8/h3-4H2,1-2H3
InChIKeyAWESKXAOZNSPDT-UHFFFAOYSA-N
XLogP0.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-bis(methoxymethyl)carbamoyl chloride?
The IUPAC name of N,N-bis(methoxymethyl)carbamoyl chloride (CID 154138873) is N,N-bis(methoxymethyl)carbamoyl chloride.
What is the SMILES notation for N,N-bis(methoxymethyl)carbamoyl chloride?
The canonical SMILES for N,N-bis(methoxymethyl)carbamoyl chloride is COCN(COC)C(=O)Cl.
What is the InChIKey of N,N-bis(methoxymethyl)carbamoyl chloride?
The InChIKey is AWESKXAOZNSPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO3/c1-9-3-7(4-10-2)5(6)8/h3-4H2,1-2H3.
What are the key properties of N,N-bis(methoxymethyl)carbamoyl chloride?
N,N-bis(methoxymethyl)carbamoyl chloride has a molecular weight of 167.59 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methoxymethyl)carbamoyl chloride is sourced from PubChem (CID 154138873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).