bicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid

C7H6O2 — CID 23002671

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid
SMILESO=CO.c1cc2cc-2c1
InChIInChI=1S/C6H4.CH2O2/c1-2-5-4-6(5)3-1;2-1-3/h1-4H;1H,(H,2,3)
InChIKeyXXWVKVWTSJYETN-UHFFFAOYSA-N
MW122.12 g/mol
LogP1.37
Rot. Bonds

About bicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid

bicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid (PubChem CID 23002671) has the molecular formula C7H6O2 and a molecular weight of 122.12 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid
PubChem CID23002671
Molecular FormulaC7H6O2
Molecular Weight122.12 g/mol
Exact Mass122.04
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid
SMILESO=CO.c1cc2cc-2c1
InChIInChI=1S/C6H4.CH2O2/c1-2-5-4-6(5)3-1;2-1-3/h1-4H;1H,(H,2,3)
InChIKeyXXWVKVWTSJYETN-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze bicyclo[3.1.0]hexa-1(6),2,4-triene;formic 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[3.1.0]hexa-1(6),2,4-triene;formic acid?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid (CID 23002671) is bicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid is O=CO.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid?
The InChIKey is XXWVKVWTSJYETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.CH2O2/c1-2-5-4-6(5)3-1;2-1-3/h1-4H;1H,(H,2,3).
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid?
bicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid has a molecular weight of 122.12 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;formic acid is sourced from PubChem (CID 23002671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).