cyclobutanecarboxylic acid

C5H8O2 — CID 19494

IUPACcyclobutanecarboxylic acid
SMILESO=C(O)C1CCC1
InChIInChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)
InChIKeyTXWOGHSRPAYOML-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.87
Rot. Bonds1

About cyclobutanecarboxylic acid

cyclobutanecarboxylic acid (PubChem CID 19494) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is cyclobutanecarboxylic acid.

Molecular Properties

Compound Namecyclobutanecarboxylic acid
PubChem CID19494
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Namecyclobutanecarboxylic acid
SMILESO=C(O)C1CCC1
InChIInChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)
InChIKeyTXWOGHSRPAYOML-UHFFFAOYSA-N
XLogP0.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclobutanecarboxylic acid?
The IUPAC name of cyclobutanecarboxylic acid (CID 19494) is cyclobutanecarboxylic acid.
What is the SMILES notation for cyclobutanecarboxylic acid?
The canonical SMILES for cyclobutanecarboxylic acid is O=C(O)C1CCC1.
What is the InChIKey of cyclobutanecarboxylic acid?
The InChIKey is TXWOGHSRPAYOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7).
What are the key properties of cyclobutanecarboxylic acid?
cyclobutanecarboxylic acid has a molecular weight of 100.12 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanecarboxylic acid is sourced from PubChem (CID 19494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).