bicyclo[4.1.0]hepta-1,3,5-triene;toluene

C14H14 — CID 173262949

IUPACbicyclo[4.1.0]hepta-1,3,5-triene;toluene
SMILESCc1ccccc1.c1ccc2c(c1)C2
InChIInChI=1S/C7H6.C7H8/c1-2-4-7-5-6(7)3-1;1-7-5-3-2-4-6-7/h1-4H,5H2;2-6H,1H3
InChIKeyRWFFAWSJYDQLRF-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.59
Rot. Bonds

About bicyclo[4.1.0]hepta-1,3,5-triene;toluene

bicyclo[4.1.0]hepta-1,3,5-triene;toluene (PubChem CID 173262949) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is bicyclo[4.1.0]hepta-1,3,5-triene;toluene.

Molecular Properties

Compound Namebicyclo[4.1.0]hepta-1,3,5-triene;toluene
PubChem CID173262949
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Namebicyclo[4.1.0]hepta-1,3,5-triene;toluene
SMILESCc1ccccc1.c1ccc2c(c1)C2
InChIInChI=1S/C7H6.C7H8/c1-2-4-7-5-6(7)3-1;1-7-5-3-2-4-6-7/h1-4H,5H2;2-6H,1H3
InChIKeyRWFFAWSJYDQLRF-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bicyclo[4.1.0]hepta-1,3,5-triene;toluene with MolForge

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

Launch Full Analysis

Related Compounds

bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
CID 91124939
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
ethane;9H-fluorene;naphthalene;toluene
CID 160674058
9,10-dihydroanthracene;methanamine
CID 123513741
toluene;dihydrochloride
CID 66712893
bicyclo[4.1.0]hepta-1,3,5-triene;methane
CID 157397080
hydron;toluene
CID 173046685
iridium;toluene
CID 160574470
toluene;hydrate
CID 22272177
ethane;toluene
CID 91350799

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]hepta-1,3,5-triene;toluene?
The IUPAC name of bicyclo[4.1.0]hepta-1,3,5-triene;toluene (CID 173262949) is bicyclo[4.1.0]hepta-1,3,5-triene;toluene.
What is the SMILES notation for bicyclo[4.1.0]hepta-1,3,5-triene;toluene?
The canonical SMILES for bicyclo[4.1.0]hepta-1,3,5-triene;toluene is Cc1ccccc1.c1ccc2c(c1)C2.
What is the InChIKey of bicyclo[4.1.0]hepta-1,3,5-triene;toluene?
The InChIKey is RWFFAWSJYDQLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6.C7H8/c1-2-4-7-5-6(7)3-1;1-7-5-3-2-4-6-7/h1-4H,5H2;2-6H,1H3.
What are the key properties of bicyclo[4.1.0]hepta-1,3,5-triene;toluene?
bicyclo[4.1.0]hepta-1,3,5-triene;toluene has a molecular weight of 182.27 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hepta-1,3,5-triene;toluene is sourced from PubChem (CID 173262949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).