methyl 2-bromocyclopentene-1-carboxylate

C7H9BrO2 — CID 139271324

IUPACmethyl 2-bromocyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(Br)CCC1
InChIInChI=1S/C7H9BrO2/c1-10-7(9)5-3-2-4-6(5)8/h2-4H2,1H3
InChIKeyRZPNBYKTXKKJAE-UHFFFAOYSA-N
MW205.05 g/mol
LogP1.99
Rot. Bonds1

About methyl 2-bromocyclopentene-1-carboxylate

methyl 2-bromocyclopentene-1-carboxylate (PubChem CID 139271324) has the molecular formula C7H9BrO2 and a molecular weight of 205.05 g/mol. Its IUPAC name is methyl 2-bromocyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromocyclopentene-1-carboxylate
PubChem CID139271324
Molecular FormulaC7H9BrO2
Molecular Weight205.05 g/mol
Exact Mass203.98
IUPAC Namemethyl 2-bromocyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(Br)CCC1
InChIInChI=1S/C7H9BrO2/c1-10-7(9)5-3-2-4-6(5)8/h2-4H2,1H3
InChIKeyRZPNBYKTXKKJAE-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-bromocyclopentene-1-carboxylate?
The IUPAC name of methyl 2-bromocyclopentene-1-carboxylate (CID 139271324) is methyl 2-bromocyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-bromocyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-bromocyclopentene-1-carboxylate is COC(=O)C1=C(Br)CCC1.
What is the InChIKey of methyl 2-bromocyclopentene-1-carboxylate?
The InChIKey is RZPNBYKTXKKJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrO2/c1-10-7(9)5-3-2-4-6(5)8/h2-4H2,1H3.
What are the key properties of methyl 2-bromocyclopentene-1-carboxylate?
methyl 2-bromocyclopentene-1-carboxylate has a molecular weight of 205.05 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromocyclopentene-1-carboxylate is sourced from PubChem (CID 139271324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).