acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene

C8H5Cl — CID 175402052

IUPACacetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene
SMILESC#C.Clc1cc2ccc1-2
InChIInChI=1S/C6H3Cl.C2H2/c7-6-3-4-1-2-5(4)6;1-2/h1-3H;1-2H
InChIKeyFLMRHXVCEIKSJG-UHFFFAOYSA-N
MW136.58 g/mol
LogP2.57
Rot. Bonds

About acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene

acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 175402052) has the molecular formula C8H5Cl and a molecular weight of 136.58 g/mol. Its IUPAC name is acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Nameacetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID175402052
Molecular FormulaC8H5Cl
Molecular Weight136.58 g/mol
Exact Mass136.01
IUPAC Nameacetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene
SMILESC#C.Clc1cc2ccc1-2
InChIInChI=1S/C6H3Cl.C2H2/c7-6-3-4-1-2-5(4)6;1-2/h1-3H;1-2H
InChIKeyFLMRHXVCEIKSJG-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene 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 acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene (CID 175402052) is acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene is C#C.Clc1cc2ccc1-2.
What is the InChIKey of acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is FLMRHXVCEIKSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl.C2H2/c7-6-3-4-1-2-5(4)6;1-2/h1-3H;1-2H.
What are the key properties of acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene?
acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 136.58 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-chlorobicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 175402052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).