5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene

C9H9Cl — CID 15470446

IUPAC5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene
SMILESClCC1CC1=C1C=CC=C1
InChIInChI=1S/C9H9Cl/c10-6-8-5-9(8)7-3-1-2-4-7/h1-4,8H,5-6H2
InChIKeyLJSUIRFHJZEPCD-UHFFFAOYSA-N
MW152.62 g/mol
LogP2.67
Rot. Bonds1

About 5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene

5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene (PubChem CID 15470446) has the molecular formula C9H9Cl and a molecular weight of 152.62 g/mol. Its IUPAC name is 5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene
PubChem CID15470446
Molecular FormulaC9H9Cl
Molecular Weight152.62 g/mol
Exact Mass152.04
IUPAC Name5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene
SMILESClCC1CC1=C1C=CC=C1
InChIInChI=1S/C9H9Cl/c10-6-8-5-9(8)7-3-1-2-4-7/h1-4,8H,5-6H2
InChIKeyLJSUIRFHJZEPCD-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene 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 5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene?
The IUPAC name of 5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene (CID 15470446) is 5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene.
What is the SMILES notation for 5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene?
The canonical SMILES for 5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene is ClCC1CC1=C1C=CC=C1.
What is the InChIKey of 5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene?
The InChIKey is LJSUIRFHJZEPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl/c10-6-8-5-9(8)7-3-1-2-4-7/h1-4,8H,5-6H2.
What are the key properties of 5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene?
5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene has a molecular weight of 152.62 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloromethyl)cyclopropylidene]cyclopenta-1,3-diene is sourced from PubChem (CID 15470446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).