7-oxabicyclo[4.1.0]heptane-3-carboxylic acid

C7H10O3 — CID 12625626

IUPAC7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
SMILESO=C(O)C1CCC2OC2C1
InChIInChI=1S/C7H10O3/c8-7(9)4-1-2-5-6(3-4)10-5/h4-6H,1-3H2,(H,8,9)
InChIKeyOXQXGKNECHBVMO-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.64
Rot. Bonds1

About 7-oxabicyclo[4.1.0]heptane-3-carboxylic acid

7-oxabicyclo[4.1.0]heptane-3-carboxylic acid (PubChem CID 12625626) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.0]heptane-3-carboxylic acid.

Molecular Properties

Compound Name7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
PubChem CID12625626
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
SMILESO=C(O)C1CCC2OC2C1
InChIInChI=1S/C7H10O3/c8-7(9)4-1-2-5-6(3-4)10-5/h4-6H,1-3H2,(H,8,9)
InChIKeyOXQXGKNECHBVMO-UHFFFAOYSA-N
XLogP0.64
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 7-oxabicyclo[4.1.0]heptane-3-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 7-oxabicyclo[4.1.0]heptane-3-carboxylic acid?
The IUPAC name of 7-oxabicyclo[4.1.0]heptane-3-carboxylic acid (CID 12625626) is 7-oxabicyclo[4.1.0]heptane-3-carboxylic acid.
What is the SMILES notation for 7-oxabicyclo[4.1.0]heptane-3-carboxylic acid?
The canonical SMILES for 7-oxabicyclo[4.1.0]heptane-3-carboxylic acid is O=C(O)C1CCC2OC2C1.
What is the InChIKey of 7-oxabicyclo[4.1.0]heptane-3-carboxylic acid?
The InChIKey is OXQXGKNECHBVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-7(9)4-1-2-5-6(3-4)10-5/h4-6H,1-3H2,(H,8,9).
What are the key properties of 7-oxabicyclo[4.1.0]heptane-3-carboxylic acid?
7-oxabicyclo[4.1.0]heptane-3-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.1.0]heptane-3-carboxylic acid is sourced from PubChem (CID 12625626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).