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

C7H6O — CID 66607926

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;formaldehyde
SMILESC=O.c1cc2cc-2c1
InChIInChI=1S/C6H4.CH2O/c1-2-5-4-6(5)3-1;1-2/h1-4H;1H2
InChIKeyBNHCXKCNRVEBFO-UHFFFAOYSA-N
MW106.12 g/mol
LogP1.48
Rot. Bonds

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

bicyclo[3.1.0]hexa-1(6),2,4-triene;formaldehyde (PubChem CID 66607926) has the molecular formula C7H6O and a molecular weight of 106.12 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;formaldehyde.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;formaldehyde
PubChem CID66607926
Molecular FormulaC7H6O
Molecular Weight106.12 g/mol
Exact Mass106.04
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;formaldehyde
SMILESC=O.c1cc2cc-2c1
InChIInChI=1S/C6H4.CH2O/c1-2-5-4-6(5)3-1;1-2/h1-4H;1H2
InChIKeyBNHCXKCNRVEBFO-UHFFFAOYSA-N
XLogP1.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze bicyclo[3.1.0]hexa-1(6),2,4-triene;formaldehyde 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;formaldehyde?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;formaldehyde (CID 66607926) is bicyclo[3.1.0]hexa-1(6),2,4-triene;formaldehyde.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;formaldehyde?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;formaldehyde is C=O.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;formaldehyde?
The InChIKey is BNHCXKCNRVEBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.CH2O/c1-2-5-4-6(5)3-1;1-2/h1-4H;1H2.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;formaldehyde?
bicyclo[3.1.0]hexa-1(6),2,4-triene;formaldehyde has a molecular weight of 106.12 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 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;formaldehyde is sourced from PubChem (CID 66607926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).