but-3-enylcyclopropane

C7H12 — CID 522662

IUPACbut-3-enylcyclopropane
SMILESC=CCCC1CC1
InChIInChI=1S/C7H12/c1-2-3-4-7-5-6-7/h2,7H,1,3-6H2
InChIKeyUBHRQZLRQKVRRD-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.36
Rot. Bonds3

About but-3-enylcyclopropane

but-3-enylcyclopropane (PubChem CID 522662) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is but-3-enylcyclopropane.

Molecular Properties

Compound Namebut-3-enylcyclopropane
PubChem CID522662
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Namebut-3-enylcyclopropane
SMILESC=CCCC1CC1
InChIInChI=1S/C7H12/c1-2-3-4-7-5-6-7/h2,7H,1,3-6H2
InChIKeyUBHRQZLRQKVRRD-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze but-3-enylcyclopropane 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-enylcyclopropane?
The IUPAC name of but-3-enylcyclopropane (CID 522662) is but-3-enylcyclopropane.
What is the SMILES notation for but-3-enylcyclopropane?
The canonical SMILES for but-3-enylcyclopropane is C=CCCC1CC1.
What is the InChIKey of but-3-enylcyclopropane?
The InChIKey is UBHRQZLRQKVRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-2-3-4-7-5-6-7/h2,7H,1,3-6H2.
What are the key properties of but-3-enylcyclopropane?
but-3-enylcyclopropane has a molecular weight of 96.17 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylcyclopropane is sourced from PubChem (CID 522662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).