[4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid

C10H15Br2NO2 — CID 22236336

IUPAC[4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCC(C=C(Br)Br)CC1
InChIInChI=1S/C10H15Br2NO2/c1-13(10(14)15)8-4-2-7(3-5-8)6-9(11)12/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyXABRABYILSQNKW-UHFFFAOYSA-N
MW341.04 g/mol
LogP3.79
Rot. Bonds2

About [4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid

[4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid (PubChem CID 22236336) has the molecular formula C10H15Br2NO2 and a molecular weight of 341.04 g/mol. Its IUPAC name is [4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid
PubChem CID22236336
Molecular FormulaC10H15Br2NO2
Molecular Weight341.04 g/mol
Exact Mass338.95
IUPAC Name[4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCC(C=C(Br)Br)CC1
InChIInChI=1S/C10H15Br2NO2/c1-13(10(14)15)8-4-2-7(3-5-8)6-9(11)12/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyXABRABYILSQNKW-UHFFFAOYSA-N
XLogP3.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.04
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl-(4-oxocyclohexyl)carbamic acid
CID 22236346
[4-(2-bromoethoxymethyl)cyclohexyl]-methylcarbamic acid
CID 22567962
[4-(3-bromopropoxy)cyclohexyl]-methylcarbamic acid
CID 22567793
[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylcarbamic acid
CID 22567888
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
cyclohex-3-en-1-yl(methyl)carbamic acid
CID 141218160
(4-cyano-4-methylcyclohexyl)-methylcarbamic acid
CID 67503005
2-[cyclopropyl(methyl)amino]but-2-enamide
CID 154464636
[4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid
CID 22567642
tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate
CID 11474132
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
(2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid
CID 146598348

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid?
The IUPAC name of [4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid (CID 22236336) is [4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid.
What is the SMILES notation for [4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid?
The canonical SMILES for [4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid is CN(C(=O)O)C1CCC(C=C(Br)Br)CC1.
What is the InChIKey of [4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid?
The InChIKey is XABRABYILSQNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NO2/c1-13(10(14)15)8-4-2-7(3-5-8)6-9(11)12/h6-8H,2-5H2,1H3,(H,14,15).
What are the key properties of [4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid?
[4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid has a molecular weight of 341.04 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dibromoethenyl)cyclohexyl]-methylcarbamic acid is sourced from PubChem (CID 22236336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).