N-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride

C6H11ClN2O2 — CID 20715975

IUPACN-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride
SMILESCC(=O)N(C)CN(C)C(=O)Cl
InChIInChI=1S/C6H11ClN2O2/c1-5(10)8(2)4-9(3)6(7)11/h4H2,1-3H3
InChIKeyYRBYPNQPBSFOIB-UHFFFAOYSA-N
MW178.62 g/mol
LogP0.71
Rot. Bonds2

About N-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride

N-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride (PubChem CID 20715975) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is N-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride
PubChem CID20715975
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC NameN-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride
SMILESCC(=O)N(C)CN(C)C(=O)Cl
InChIInChI=1S/C6H11ClN2O2/c1-5(10)8(2)4-9(3)6(7)11/h4H2,1-3H3
InChIKeyYRBYPNQPBSFOIB-UHFFFAOYSA-N
XLogP0.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 50.71
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-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride?
The IUPAC name of N-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride (CID 20715975) is N-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride.
What is the SMILES notation for N-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride?
The canonical SMILES for N-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride is CC(=O)N(C)CN(C)C(=O)Cl.
What is the InChIKey of N-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride?
The InChIKey is YRBYPNQPBSFOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c1-5(10)8(2)4-9(3)6(7)11/h4H2,1-3H3.
What are the key properties of N-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride?
N-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride has a molecular weight of 178.62 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[acetyl(methyl)amino]methyl]-N-methylcarbamoyl chloride is sourced from PubChem (CID 20715975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).