1-chloroethyl N,N-dimethylcarbamate

C5H10ClNO2 — CID 14324075

IUPAC1-chloroethyl N,N-dimethylcarbamate
SMILESCC(Cl)OC(=O)N(C)C
InChIInChI=1S/C5H10ClNO2/c1-4(6)9-5(8)7(2)3/h4H,1-3H3
InChIKeyYGGHIXQTSIQHAX-UHFFFAOYSA-N
MW151.59 g/mol
LogP1.27
Rot. Bonds1

About 1-chloroethyl N,N-dimethylcarbamate

1-chloroethyl N,N-dimethylcarbamate (PubChem CID 14324075) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 1-chloroethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name1-chloroethyl N,N-dimethylcarbamate
PubChem CID14324075
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name1-chloroethyl N,N-dimethylcarbamate
SMILESCC(Cl)OC(=O)N(C)C
InChIInChI=1S/C5H10ClNO2/c1-4(6)9-5(8)7(2)3/h4H,1-3H3
InChIKeyYGGHIXQTSIQHAX-UHFFFAOYSA-N
XLogP1.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 51.27
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 1-chloroethyl N,N-dimethylcarbamate?
The IUPAC name of 1-chloroethyl N,N-dimethylcarbamate (CID 14324075) is 1-chloroethyl N,N-dimethylcarbamate.
What is the SMILES notation for 1-chloroethyl N,N-dimethylcarbamate?
The canonical SMILES for 1-chloroethyl N,N-dimethylcarbamate is CC(Cl)OC(=O)N(C)C.
What is the InChIKey of 1-chloroethyl N,N-dimethylcarbamate?
The InChIKey is YGGHIXQTSIQHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO2/c1-4(6)9-5(8)7(2)3/h4H,1-3H3.
What are the key properties of 1-chloroethyl N,N-dimethylcarbamate?
1-chloroethyl N,N-dimethylcarbamate has a molecular weight of 151.59 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethyl N,N-dimethylcarbamate is sourced from PubChem (CID 14324075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).