cyclobutene;1H-phenalene

C17H16 — CID 175310152

IUPACcyclobutene;1H-phenalene
SMILESC1=CCC1.C1=Cc2cccc3cccc(c23)C1
InChIInChI=1S/C13H10.C4H6/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-2-4-3-1/h1-8H,9H2;1-2H,3-4H2
InChIKeyKMQWSEFDOTVWLZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.75
Rot. Bonds

About cyclobutene;1H-phenalene

cyclobutene;1H-phenalene (PubChem CID 175310152) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is cyclobutene;1H-phenalene.

Molecular Properties

Compound Namecyclobutene;1H-phenalene
PubChem CID175310152
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Namecyclobutene;1H-phenalene
SMILESC1=CCC1.C1=Cc2cccc3cccc(c23)C1
InChIInChI=1S/C13H10.C4H6/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-2-4-3-1/h1-8H,9H2;1-2H,3-4H2
InChIKeyKMQWSEFDOTVWLZ-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclobutene;1H-phenalene 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 cyclobutene;1H-phenalene?
The IUPAC name of cyclobutene;1H-phenalene (CID 175310152) is cyclobutene;1H-phenalene.
What is the SMILES notation for cyclobutene;1H-phenalene?
The canonical SMILES for cyclobutene;1H-phenalene is C1=CCC1.C1=Cc2cccc3cccc(c23)C1.
What is the InChIKey of cyclobutene;1H-phenalene?
The InChIKey is KMQWSEFDOTVWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C4H6/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-2-4-3-1/h1-8H,9H2;1-2H,3-4H2.
What are the key properties of cyclobutene;1H-phenalene?
cyclobutene;1H-phenalene has a molecular weight of 220.31 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutene;1H-phenalene is sourced from PubChem (CID 175310152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).