2-bromo-3-methylcyclopentene-1-carboxylate

C7H8BrO2- — CID 155906082

IUPAC2-bromo-3-methylcyclopentene-1-carboxylate
SMILESCC1CCC(C(=O)[O-])=C1Br
InChIInChI=1S/C7H9BrO2/c1-4-2-3-5(6(4)8)7(9)10/h4H,2-3H2,1H3,(H,9,10)/p-1
InChIKeyWYBRVTBLNJULRE-UHFFFAOYSA-M
MW204.04 g/mol
LogP0.82
Rot. Bonds1

About 2-bromo-3-methylcyclopentene-1-carboxylate

2-bromo-3-methylcyclopentene-1-carboxylate (PubChem CID 155906082) has the molecular formula C7H8BrO2- and a molecular weight of 204.04 g/mol. Its IUPAC name is 2-bromo-3-methylcyclopentene-1-carboxylate.

Molecular Properties

Compound Name2-bromo-3-methylcyclopentene-1-carboxylate
PubChem CID155906082
Molecular FormulaC7H8BrO2-
Molecular Weight204.04 g/mol
Exact Mass202.97
IUPAC Name2-bromo-3-methylcyclopentene-1-carboxylate
SMILESCC1CCC(C(=O)[O-])=C1Br
InChIInChI=1S/C7H9BrO2/c1-4-2-3-5(6(4)8)7(9)10/h4H,2-3H2,1H3,(H,9,10)/p-1
InChIKeyWYBRVTBLNJULRE-UHFFFAOYSA-M
XLogP0.82
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylcyclopentene-1,2-dicarboxylic acid
CID 4162485
4-methylcyclohexene-1,2-dicarbonyl bromide
CID 139716359
magnesium;bromocyclopropane;diacetate
CID 175020388
3-methylcyclohexene-1,2-dicarbonyl chloride
CID 142725909
CID 101096124
CID 101096124
1-methyl-2-methylidenecyclobutane
CID 20800914
4-methylcyclohexene-1,2,3-tricarboxylic acid
CID 22608859
1-[(Z)-but-2-en-2-yl]-2-ethyl-3-methylcyclopentene
CID 178164613
bis(iron(3+));tris(2,3,5,6-tetramethylterephthalate)
CID 160653230
2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene
CID 176703832
indium(3+);tris(4-methylcyclohexane-1-carboxylate)
CID 22604168
(3S)-3-methyl-2-methylidenecyclopentan-1-one
CID 11789153

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methylcyclopentene-1-carboxylate?
The IUPAC name of 2-bromo-3-methylcyclopentene-1-carboxylate (CID 155906082) is 2-bromo-3-methylcyclopentene-1-carboxylate.
What is the SMILES notation for 2-bromo-3-methylcyclopentene-1-carboxylate?
The canonical SMILES for 2-bromo-3-methylcyclopentene-1-carboxylate is CC1CCC(C(=O)[O-])=C1Br.
What is the InChIKey of 2-bromo-3-methylcyclopentene-1-carboxylate?
The InChIKey is WYBRVTBLNJULRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9BrO2/c1-4-2-3-5(6(4)8)7(9)10/h4H,2-3H2,1H3,(H,9,10)/p-1.
What are the key properties of 2-bromo-3-methylcyclopentene-1-carboxylate?
2-bromo-3-methylcyclopentene-1-carboxylate has a molecular weight of 204.04 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methylcyclopentene-1-carboxylate is sourced from PubChem (CID 155906082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).