tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride

C10H11ClO — CID 45081514

IUPACtricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride
SMILESO=C(Cl)C1CC2C3C=CC(C3)C12
InChIInChI=1S/C10H11ClO/c11-10(12)8-4-7-5-1-2-6(3-5)9(7)8/h1-2,5-9H,3-4H2
InChIKeyROEJKBLUSOXZSB-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.21
Rot. Bonds1

About tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride

tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride (PubChem CID 45081514) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride.

Molecular Properties

Compound Nametricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride
PubChem CID45081514
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Nametricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride
SMILESO=C(Cl)C1CC2C3C=CC(C3)C12
InChIInChI=1S/C10H11ClO/c11-10(12)8-4-7-5-1-2-6(3-5)9(7)8/h1-2,5-9H,3-4H2
InChIKeyROEJKBLUSOXZSB-UHFFFAOYSA-N
XLogP2.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride 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 tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride?
The IUPAC name of tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride (CID 45081514) is tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride.
What is the SMILES notation for tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride?
The canonical SMILES for tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride is O=C(Cl)C1CC2C3C=CC(C3)C12.
What is the InChIKey of tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride?
The InChIKey is ROEJKBLUSOXZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c11-10(12)8-4-7-5-1-2-6(3-5)9(7)8/h1-2,5-9H,3-4H2.
What are the key properties of tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride?
tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride has a molecular weight of 182.65 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.2.1.02,5]non-7-ene-3-carbonyl chloride is sourced from PubChem (CID 45081514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).