Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne

C9H7Cl — CID 21251725

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne
SMILESCC#CCl.C1=CC2=CC=C21
InChIInChI=1S/C6H4.C3H3Cl/c1-2-6-4-3-5(1)6;1-2-3-4/h1-4H;1H3
InChIKeyWXMHMUSSZGFWOS-UHFFFAOYSA-N
MW150.60 g/mol
LogP—
Rot. Bonds

About Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne

Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne (PubChem CID 21251725) has the molecular formula C9H7Cl and a molecular weight of 150.60 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne.

Molecular Properties

Compound NameBicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne
PubChem CID21251725
Molecular FormulaC9H7Cl
Molecular Weight150.60 g/mol
Exact Mass150.02
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne
SMILESCC#CCl.C1=CC2=CC=C21
InChIInChI=1S/C6H4.C3H3Cl/c1-2-6-4-3-5(1)6;1-2-3-4/h1-4H;1H3
InChIKeyWXMHMUSSZGFWOS-UHFFFAOYSA-N
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity101

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne 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[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne?
The IUPAC name of Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne (CID 21251725) is bicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne.
What is the SMILES notation for Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne?
The canonical SMILES for Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne is CC#CCl.C1=CC2=CC=C21.
What is the InChIKey of Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne?
The InChIKey is WXMHMUSSZGFWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C3H3Cl/c1-2-6-4-3-5(1)6;1-2-3-4/h1-4H;1H3.
What are the key properties of Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne?
Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne has a molecular weight of 150.60 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Bicyclo[2.2.0]hexa-1,3,5-triene;1-chloroprop-1-yne is sourced from PubChem (CID 21251725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).