2-bromoethyl N,N-dimethylcarbamate

C5H10BrNO2 — CID 13179983

IUPAC2-bromoethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCBr
InChIInChI=1S/C5H10BrNO2/c1-7(2)5(8)9-4-3-6/h3-4H2,1-2H3
InChIKeyWAORRHZAFUYCTO-UHFFFAOYSA-N
MW196.04 g/mol
LogP1.08
Rot. Bonds2

About 2-bromoethyl N,N-dimethylcarbamate

2-bromoethyl N,N-dimethylcarbamate (PubChem CID 13179983) has the molecular formula C5H10BrNO2 and a molecular weight of 196.04 g/mol. Its IUPAC name is 2-bromoethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-bromoethyl N,N-dimethylcarbamate
PubChem CID13179983
Molecular FormulaC5H10BrNO2
Molecular Weight196.04 g/mol
Exact Mass194.99
IUPAC Name2-bromoethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCBr
InChIInChI=1S/C5H10BrNO2/c1-7(2)5(8)9-4-3-6/h3-4H2,1-2H3
InChIKeyWAORRHZAFUYCTO-UHFFFAOYSA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.04
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Carbamic acid, N,N-dimethyl-, ethyl ester
CID 12709
Ethyl bis(2-bromoethyl)carbamate
CID 10924683
[(2R,3S)-3-bromobutan-2-yl] N,N-dimethylcarbamate
CID 5479100
3-bromobutan-2-yl N,N-dimethylcarbamate
CID 14212023
2-bromoethyl N,N-diethylcarbamate
CID 13683710
Ethoxycarbonyl(trimethyl)azanium
CID 14913209
ethyl N-(2-bromoethyl)-N-methylcarbamate;dihydrobromide
CID 19097825
ethyl N-(2-bromoethyl)-N-methylcarbamate
CID 19097826
1-bromoethyl N,N-diethylcarbamate
CID 21291931
ethyl N,N-bis(bromomethyl)carbamate
CID 88676853
2,2-dibromoethyl N,N-dimethylcarbamate
CID 126673127
ethyl N-(methoxymethyl)-N-methylcarbamate
CID 139914038

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl N,N-dimethylcarbamate?
The IUPAC name of 2-bromoethyl N,N-dimethylcarbamate (CID 13179983) is 2-bromoethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-bromoethyl N,N-dimethylcarbamate?
The canonical SMILES for 2-bromoethyl N,N-dimethylcarbamate is CN(C)C(=O)OCCBr.
What is the InChIKey of 2-bromoethyl N,N-dimethylcarbamate?
The InChIKey is WAORRHZAFUYCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO2/c1-7(2)5(8)9-4-3-6/h3-4H2,1-2H3.
What are the key properties of 2-bromoethyl N,N-dimethylcarbamate?
2-bromoethyl N,N-dimethylcarbamate has a molecular weight of 196.04 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl N,N-dimethylcarbamate is sourced from PubChem (CID 13179983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).