2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid

C11H13BrO3 — CID 130877489

IUPAC2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Cc1coc(Br)c1
InChIInChI=1S/C11H13BrO3/c12-10-5-7(6-15-10)4-8-2-1-3-9(8)11(13)14/h5-6,8-9H,1-4H2,(H,13,14)
InChIKeyBKUDWKYZESTJEV-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.09
Rot. Bonds3

About 2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid

2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 130877489) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID130877489
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Cc1coc(Br)c1
InChIInChI=1S/C11H13BrO3/c12-10-5-7(6-15-10)4-8-2-1-3-9(8)11(13)14/h5-6,8-9H,1-4H2,(H,13,14)
InChIKeyBKUDWKYZESTJEV-UHFFFAOYSA-N
XLogP3.09
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid (CID 130877489) is 2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Cc1coc(Br)c1.
What is the InChIKey of 2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is BKUDWKYZESTJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c12-10-5-7(6-15-10)4-8-2-1-3-9(8)11(13)14/h5-6,8-9H,1-4H2,(H,13,14).
What are the key properties of 2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid?
2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 273.13 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 130877489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).