2-bromoprop-2-enyl(methyl)carbamic acid

C5H8BrNO2 — CID 118140794

IUPAC2-bromoprop-2-enyl(methyl)carbamic acid
SMILESC=C(Br)CN(C)C(=O)O
InChIInChI=1S/C5H8BrNO2/c1-4(6)3-7(2)5(8)9/h1,3H2,2H3,(H,8,9)
InChIKeyLFPNVCKOARHQPK-UHFFFAOYSA-N
MW194.03 g/mol
LogP1.50
Rot. Bonds2

About 2-bromoprop-2-enyl(methyl)carbamic acid

2-bromoprop-2-enyl(methyl)carbamic acid (PubChem CID 118140794) has the molecular formula C5H8BrNO2 and a molecular weight of 194.03 g/mol. Its IUPAC name is 2-bromoprop-2-enyl(methyl)carbamic acid.

Molecular Properties

Compound Name2-bromoprop-2-enyl(methyl)carbamic acid
PubChem CID118140794
Molecular FormulaC5H8BrNO2
Molecular Weight194.03 g/mol
Exact Mass192.97
IUPAC Name2-bromoprop-2-enyl(methyl)carbamic acid
SMILESC=C(Br)CN(C)C(=O)O
InChIInChI=1S/C5H8BrNO2/c1-4(6)3-7(2)5(8)9/h1,3H2,2H3,(H,8,9)
InChIKeyLFPNVCKOARHQPK-UHFFFAOYSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.03
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoprop-2-enyl)-N-methylbut-3-en-1-amine
CID 13113540
2-bromo-N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 13113536
N-(2-bromoprop-2-enyl)-N-methylbutan-2-amine
CID 130854891
methyl-[2-(4-nitrophenyl)prop-2-enyl]carbamic acid
CID 118140910
N-methyl-N-(2-methylprop-2-enyl)acetamide
CID 115968492
2-[dimethylcarbamoyl(methyl)amino]acetic acid
CID 43135260
2-[carboxymethyl(methyl)amino]-2-oxoacetic acid
CID 14985601
N-(2-bromoprop-2-enyl)-N,1-dimethylpiperidin-3-amine
CID 130650445
N-ethyl-N-methylcarbamoyl bromide
CID 54570671
1-methyl-1-(2-methylprop-2-enyl)urea
CID 115964716
3-iodopropyl(methyl)carbamic acid
CID 21077788
methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate
CID 19738529

Frequently Asked Questions

What is the IUPAC name of 2-bromoprop-2-enyl(methyl)carbamic acid?
The IUPAC name of 2-bromoprop-2-enyl(methyl)carbamic acid (CID 118140794) is 2-bromoprop-2-enyl(methyl)carbamic acid.
What is the SMILES notation for 2-bromoprop-2-enyl(methyl)carbamic acid?
The canonical SMILES for 2-bromoprop-2-enyl(methyl)carbamic acid is C=C(Br)CN(C)C(=O)O.
What is the InChIKey of 2-bromoprop-2-enyl(methyl)carbamic acid?
The InChIKey is LFPNVCKOARHQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrNO2/c1-4(6)3-7(2)5(8)9/h1,3H2,2H3,(H,8,9).
What are the key properties of 2-bromoprop-2-enyl(methyl)carbamic acid?
2-bromoprop-2-enyl(methyl)carbamic acid has a molecular weight of 194.03 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoprop-2-enyl(methyl)carbamic acid is sourced from PubChem (CID 118140794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).