2-methylbut-3-yn-2-ylcyclopropane

C8H12 — CID 54383554

IUPAC2-methylbut-3-yn-2-ylcyclopropane
SMILESC#CC(C)(C)C1CC1
InChIInChI=1S/C8H12/c1-4-8(2,3)7-5-6-7/h1,7H,5-6H2,2-3H3
InChIKeyRIZYFRDWKXQNFS-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.06
Rot. Bonds1

About 2-methylbut-3-yn-2-ylcyclopropane

2-methylbut-3-yn-2-ylcyclopropane (PubChem CID 54383554) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 2-methylbut-3-yn-2-ylcyclopropane.

Molecular Properties

Compound Name2-methylbut-3-yn-2-ylcyclopropane
PubChem CID54383554
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name2-methylbut-3-yn-2-ylcyclopropane
SMILESC#CC(C)(C)C1CC1
InChIInChI=1S/C8H12/c1-4-8(2,3)7-5-6-7/h1,7H,5-6H2,2-3H3
InChIKeyRIZYFRDWKXQNFS-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methylbut-3-yn-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 2-methylbut-3-yn-2-ylcyclopropane?
The IUPAC name of 2-methylbut-3-yn-2-ylcyclopropane (CID 54383554) is 2-methylbut-3-yn-2-ylcyclopropane.
What is the SMILES notation for 2-methylbut-3-yn-2-ylcyclopropane?
The canonical SMILES for 2-methylbut-3-yn-2-ylcyclopropane is C#CC(C)(C)C1CC1.
What is the InChIKey of 2-methylbut-3-yn-2-ylcyclopropane?
The InChIKey is RIZYFRDWKXQNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-4-8(2,3)7-5-6-7/h1,7H,5-6H2,2-3H3.
What are the key properties of 2-methylbut-3-yn-2-ylcyclopropane?
2-methylbut-3-yn-2-ylcyclopropane has a molecular weight of 108.18 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-3-yn-2-ylcyclopropane is sourced from PubChem (CID 54383554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).