2-bromocyclopentene-1-carboxylic acid

C6H7BrO2 — CID 10965320

IUPAC2-bromocyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(Br)CCC1
InChIInChI=1S/C6H7BrO2/c7-5-3-1-2-4(5)6(8)9/h1-3H2,(H,8,9)
InChIKeyFBXSCLJLRKVMCV-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.90
Rot. Bonds1

About 2-bromocyclopentene-1-carboxylic acid

2-bromocyclopentene-1-carboxylic acid (PubChem CID 10965320) has the molecular formula C6H7BrO2 and a molecular weight of 191.02 g/mol. Its IUPAC name is 2-bromocyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-bromocyclopentene-1-carboxylic acid
PubChem CID10965320
Molecular FormulaC6H7BrO2
Molecular Weight191.02 g/mol
Exact Mass189.96
IUPAC Name2-bromocyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(Br)CCC1
InChIInChI=1S/C6H7BrO2/c7-5-3-1-2-4(5)6(8)9/h1-3H2,(H,8,9)
InChIKeyFBXSCLJLRKVMCV-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromocyclopentene-1-carboxylic acid?
The IUPAC name of 2-bromocyclopentene-1-carboxylic acid (CID 10965320) is 2-bromocyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-bromocyclopentene-1-carboxylic acid?
The canonical SMILES for 2-bromocyclopentene-1-carboxylic acid is O=C(O)C1=C(Br)CCC1.
What is the InChIKey of 2-bromocyclopentene-1-carboxylic acid?
The InChIKey is FBXSCLJLRKVMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrO2/c7-5-3-1-2-4(5)6(8)9/h1-3H2,(H,8,9).
What are the key properties of 2-bromocyclopentene-1-carboxylic acid?
2-bromocyclopentene-1-carboxylic acid has a molecular weight of 191.02 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromocyclopentene-1-carboxylic acid is sourced from PubChem (CID 10965320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).