but-3-en-2-ylcyclopropane

C7H12 — CID 12663409

IUPACbut-3-en-2-ylcyclopropane
SMILESC=CC(C)C1CC1
InChIInChI=1S/C7H12/c1-3-6(2)7-4-5-7/h3,6-7H,1,4-5H2,2H3
InChIKeyXZLWQFYUCAOCMM-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.22
Rot. Bonds2

About but-3-en-2-ylcyclopropane

but-3-en-2-ylcyclopropane (PubChem CID 12663409) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is but-3-en-2-ylcyclopropane.

Molecular Properties

Compound Namebut-3-en-2-ylcyclopropane
PubChem CID12663409
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Namebut-3-en-2-ylcyclopropane
SMILESC=CC(C)C1CC1
InChIInChI=1S/C7H12/c1-3-6(2)7-4-5-7/h3,6-7H,1,4-5H2,2H3
InChIKeyXZLWQFYUCAOCMM-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze but-3-en-2-ylcyclopropane 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 but-3-en-2-ylcyclopropane?
The IUPAC name of but-3-en-2-ylcyclopropane (CID 12663409) is but-3-en-2-ylcyclopropane.
What is the SMILES notation for but-3-en-2-ylcyclopropane?
The canonical SMILES for but-3-en-2-ylcyclopropane is C=CC(C)C1CC1.
What is the InChIKey of but-3-en-2-ylcyclopropane?
The InChIKey is XZLWQFYUCAOCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-3-6(2)7-4-5-7/h3,6-7H,1,4-5H2,2H3.
What are the key properties of but-3-en-2-ylcyclopropane?
but-3-en-2-ylcyclopropane has a molecular weight of 96.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-ylcyclopropane is sourced from PubChem (CID 12663409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).