pentan-3-ylidenecyclobutane

C9H16 — CID 14742286

IUPACpentan-3-ylidenecyclobutane
SMILESCCC(CC)=C1CCC1
InChIInChI=1S/C9H16/c1-3-8(4-2)9-6-5-7-9/h3-7H2,1-2H3
InChIKeyWVNMJJYPKAPEMC-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.29
Rot. Bonds2

About pentan-3-ylidenecyclobutane

pentan-3-ylidenecyclobutane (PubChem CID 14742286) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is pentan-3-ylidenecyclobutane.

Molecular Properties

Compound Namepentan-3-ylidenecyclobutane
PubChem CID14742286
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Namepentan-3-ylidenecyclobutane
SMILESCCC(CC)=C1CCC1
InChIInChI=1S/C9H16/c1-3-8(4-2)9-6-5-7-9/h3-7H2,1-2H3
InChIKeyWVNMJJYPKAPEMC-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze pentan-3-ylidenecyclobutane 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 pentan-3-ylidenecyclobutane?
The IUPAC name of pentan-3-ylidenecyclobutane (CID 14742286) is pentan-3-ylidenecyclobutane.
What is the SMILES notation for pentan-3-ylidenecyclobutane?
The canonical SMILES for pentan-3-ylidenecyclobutane is CCC(CC)=C1CCC1.
What is the InChIKey of pentan-3-ylidenecyclobutane?
The InChIKey is WVNMJJYPKAPEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-8(4-2)9-6-5-7-9/h3-7H2,1-2H3.
What are the key properties of pentan-3-ylidenecyclobutane?
pentan-3-ylidenecyclobutane has a molecular weight of 124.23 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-ylidenecyclobutane is sourced from PubChem (CID 14742286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).