3-methylbut-2-enylcyclopropane

C8H14 — CID 12663410

IUPAC3-methylbut-2-enylcyclopropane
SMILESCC(C)=CCC1CC1
InChIInChI=1S/C8H14/c1-7(2)3-4-8-5-6-8/h3,8H,4-6H2,1-2H3
InChIKeyVZVDDJOHOIUCIG-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds2

About 3-methylbut-2-enylcyclopropane

3-methylbut-2-enylcyclopropane (PubChem CID 12663410) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 3-methylbut-2-enylcyclopropane.

Molecular Properties

Compound Name3-methylbut-2-enylcyclopropane
PubChem CID12663410
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name3-methylbut-2-enylcyclopropane
SMILESCC(C)=CCC1CC1
InChIInChI=1S/C8H14/c1-7(2)3-4-8-5-6-8/h3,8H,4-6H2,1-2H3
InChIKeyVZVDDJOHOIUCIG-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-methylbut-2-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 3-methylbut-2-enylcyclopropane?
The IUPAC name of 3-methylbut-2-enylcyclopropane (CID 12663410) is 3-methylbut-2-enylcyclopropane.
What is the SMILES notation for 3-methylbut-2-enylcyclopropane?
The canonical SMILES for 3-methylbut-2-enylcyclopropane is CC(C)=CCC1CC1.
What is the InChIKey of 3-methylbut-2-enylcyclopropane?
The InChIKey is VZVDDJOHOIUCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-7(2)3-4-8-5-6-8/h3,8H,4-6H2,1-2H3.
What are the key properties of 3-methylbut-2-enylcyclopropane?
3-methylbut-2-enylcyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enylcyclopropane is sourced from PubChem (CID 12663410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).