2-(furan-2-yl)cyclobutane-1-carboxylic acid

C9H10O3 — CID 81009452

IUPAC2-(furan-2-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1c1ccco1
InChIInChI=1S/C9H10O3/c10-9(11)7-4-3-6(7)8-2-1-5-12-8/h1-2,5-7H,3-4H2,(H,10,11)
InChIKeyGJHWOXISTMTTRK-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.86
Rot. Bonds2

About 2-(furan-2-yl)cyclobutane-1-carboxylic acid

2-(furan-2-yl)cyclobutane-1-carboxylic acid (PubChem CID 81009452) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(furan-2-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)cyclobutane-1-carboxylic acid
PubChem CID81009452
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-(furan-2-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1c1ccco1
InChIInChI=1S/C9H10O3/c10-9(11)7-4-3-6(7)8-2-1-5-12-8/h1-2,5-7H,3-4H2,(H,10,11)
InChIKeyGJHWOXISTMTTRK-UHFFFAOYSA-N
XLogP1.86
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)cyclobutane-1-carboxylic acid (CID 81009452) is 2-(furan-2-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)cyclobutane-1-carboxylic acid?
The InChIKey is GJHWOXISTMTTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-9(11)7-4-3-6(7)8-2-1-5-12-8/h1-2,5-7H,3-4H2,(H,10,11).
What are the key properties of 2-(furan-2-yl)cyclobutane-1-carboxylic acid?
2-(furan-2-yl)cyclobutane-1-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81009452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).