bicyclo[2.1.0]pentane-1-carboxylic acid

C6H8O2 — CID 23423434

IUPACbicyclo[2.1.0]pentane-1-carboxylic acid
SMILESO=C(O)C12CCC1C2
InChIInChI=1S/C6H8O2/c7-5(8)6-2-1-4(6)3-6/h4H,1-3H2,(H,7,8)
InChIKeyURZGHXFWPDANHP-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.87
Rot. Bonds1

About bicyclo[2.1.0]pentane-1-carboxylic acid

bicyclo[2.1.0]pentane-1-carboxylic acid (PubChem CID 23423434) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is bicyclo[2.1.0]pentane-1-carboxylic acid.

Molecular Properties

Compound Namebicyclo[2.1.0]pentane-1-carboxylic acid
PubChem CID23423434
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Namebicyclo[2.1.0]pentane-1-carboxylic acid
SMILESO=C(O)C12CCC1C2
InChIInChI=1S/C6H8O2/c7-5(8)6-2-1-4(6)3-6/h4H,1-3H2,(H,7,8)
InChIKeyURZGHXFWPDANHP-UHFFFAOYSA-N
XLogP0.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze bicyclo[2.1.0]pentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.1.0]pentane-1-carboxylic acid?
The IUPAC name of bicyclo[2.1.0]pentane-1-carboxylic acid (CID 23423434) is bicyclo[2.1.0]pentane-1-carboxylic acid.
What is the SMILES notation for bicyclo[2.1.0]pentane-1-carboxylic acid?
The canonical SMILES for bicyclo[2.1.0]pentane-1-carboxylic acid is O=C(O)C12CCC1C2.
What is the InChIKey of bicyclo[2.1.0]pentane-1-carboxylic acid?
The InChIKey is URZGHXFWPDANHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c7-5(8)6-2-1-4(6)3-6/h4H,1-3H2,(H,7,8).
What are the key properties of bicyclo[2.1.0]pentane-1-carboxylic acid?
bicyclo[2.1.0]pentane-1-carboxylic acid has a molecular weight of 112.13 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 bicyclo[2.1.0]pentane-1-carboxylic acid is sourced from PubChem (CID 23423434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).