3-pent-1-enylcyclobutene

C9H14 — CID 174814530

IUPAC3-pent-1-enylcyclobutene
SMILESCCCC=CC1C=CC1
InChIInChI=1S/C9H14/c1-2-3-4-6-9-7-5-8-9/h4-7,9H,2-3,8H2,1H3
InChIKeyFJQSIWQNZSVAKZ-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds3

About 3-pent-1-enylcyclobutene

3-pent-1-enylcyclobutene (PubChem CID 174814530) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3-pent-1-enylcyclobutene.

Molecular Properties

Compound Name3-pent-1-enylcyclobutene
PubChem CID174814530
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3-pent-1-enylcyclobutene
SMILESCCCC=CC1C=CC1
InChIInChI=1S/C9H14/c1-2-3-4-6-9-7-5-8-9/h4-7,9H,2-3,8H2,1H3
InChIKeyFJQSIWQNZSVAKZ-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-pent-1-enylcyclobutene 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 3-pent-1-enylcyclobutene?
The IUPAC name of 3-pent-1-enylcyclobutene (CID 174814530) is 3-pent-1-enylcyclobutene.
What is the SMILES notation for 3-pent-1-enylcyclobutene?
The canonical SMILES for 3-pent-1-enylcyclobutene is CCCC=CC1C=CC1.
What is the InChIKey of 3-pent-1-enylcyclobutene?
The InChIKey is FJQSIWQNZSVAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-3-4-6-9-7-5-8-9/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 3-pent-1-enylcyclobutene?
3-pent-1-enylcyclobutene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-1-enylcyclobutene is sourced from PubChem (CID 174814530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).