ethyl N-(1-bromopropan-2-yl)carbamate

C6H12BrNO2 — CID 174248965

IUPACethyl N-(1-bromopropan-2-yl)carbamate
SMILESCCOC(=O)NC(C)CBr
InChIInChI=1S/C6H12BrNO2/c1-3-10-6(9)8-5(2)4-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyISRJBOICHDWGDK-UHFFFAOYSA-N
MW210.07 g/mol
LogP1.52
Rot. Bonds3

About ethyl N-(1-bromopropan-2-yl)carbamate

ethyl N-(1-bromopropan-2-yl)carbamate (PubChem CID 174248965) has the molecular formula C6H12BrNO2 and a molecular weight of 210.07 g/mol. Its IUPAC name is ethyl N-(1-bromopropan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-bromopropan-2-yl)carbamate
PubChem CID174248965
Molecular FormulaC6H12BrNO2
Molecular Weight210.07 g/mol
Exact Mass209.01
IUPAC Nameethyl N-(1-bromopropan-2-yl)carbamate
SMILESCCOC(=O)NC(C)CBr
InChIInChI=1S/C6H12BrNO2/c1-3-10-6(9)8-5(2)4-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyISRJBOICHDWGDK-UHFFFAOYSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(4-bromo-3-oxobutan-2-yl)carbamate
CID 104700701
ethyl N-(6-methylheptan-2-yl)carbamate
CID 60652004
methyl (3R)-3-(ethoxycarbonylamino)butanoate
CID 102236477
[(2S)-2-(ethoxycarbonylamino)propyl] acetate
CID 131844256
ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate
CID 114466677
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
ethyl N-(5-chloro-4-oxopentan-2-yl)carbamate
CID 104700785
5-(ethoxycarbonylamino)hexanoic acid
CID 82855012
ethyl N-(5-cyanopentan-2-yl)carbamate
CID 45120210

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-bromopropan-2-yl)carbamate?
The IUPAC name of ethyl N-(1-bromopropan-2-yl)carbamate (CID 174248965) is ethyl N-(1-bromopropan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1-bromopropan-2-yl)carbamate?
The canonical SMILES for ethyl N-(1-bromopropan-2-yl)carbamate is CCOC(=O)NC(C)CBr.
What is the InChIKey of ethyl N-(1-bromopropan-2-yl)carbamate?
The InChIKey is ISRJBOICHDWGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2/c1-3-10-6(9)8-5(2)4-7/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of ethyl N-(1-bromopropan-2-yl)carbamate?
ethyl N-(1-bromopropan-2-yl)carbamate has a molecular weight of 210.07 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-bromopropan-2-yl)carbamate is sourced from PubChem (CID 174248965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).