chloromethyl N,N-dimethylcarbamate

C4H8ClNO2 — CID 15759424

IUPACchloromethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCl
InChIInChI=1S/C4H8ClNO2/c1-6(2)4(7)8-3-5/h3H2,1-2H3
InChIKeyODDBDWWPSOCNIB-UHFFFAOYSA-N
MW137.57 g/mol
LogP0.88
Rot. Bonds1

About chloromethyl N,N-dimethylcarbamate

chloromethyl N,N-dimethylcarbamate (PubChem CID 15759424) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is chloromethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Namechloromethyl N,N-dimethylcarbamate
PubChem CID15759424
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC Namechloromethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCl
InChIInChI=1S/C4H8ClNO2/c1-6(2)4(7)8-3-5/h3H2,1-2H3
InChIKeyODDBDWWPSOCNIB-UHFFFAOYSA-N
XLogP0.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethyl N,N-dimethylcarbamate?
The IUPAC name of chloromethyl N,N-dimethylcarbamate (CID 15759424) is chloromethyl N,N-dimethylcarbamate.
What is the SMILES notation for chloromethyl N,N-dimethylcarbamate?
The canonical SMILES for chloromethyl N,N-dimethylcarbamate is CN(C)C(=O)OCCl.
What is the InChIKey of chloromethyl N,N-dimethylcarbamate?
The InChIKey is ODDBDWWPSOCNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO2/c1-6(2)4(7)8-3-5/h3H2,1-2H3.
What are the key properties of chloromethyl N,N-dimethylcarbamate?
chloromethyl N,N-dimethylcarbamate has a molecular weight of 137.57 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl N,N-dimethylcarbamate is sourced from PubChem (CID 15759424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).