1-cyclopropyl-1-ethynylcyclopropane

C8H10 — CID 102452879

IUPAC1-cyclopropyl-1-ethynylcyclopropane
SMILESC#CC1(C2CC2)CC1
InChIInChI=1S/C8H10/c1-2-8(5-6-8)7-3-4-7/h1,7H,3-6H2
InChIKeyNJHXIWJLMNRPAX-UHFFFAOYSA-N
MW106.17 g/mol
LogP1.81
Rot. Bonds1

About 1-cyclopropyl-1-ethynylcyclopropane

1-cyclopropyl-1-ethynylcyclopropane (PubChem CID 102452879) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethynylcyclopropane.

Molecular Properties

Compound Name1-cyclopropyl-1-ethynylcyclopropane
PubChem CID102452879
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name1-cyclopropyl-1-ethynylcyclopropane
SMILESC#CC1(C2CC2)CC1
InChIInChI=1S/C8H10/c1-2-8(5-6-8)7-3-4-7/h1,7H,3-6H2
InChIKeyNJHXIWJLMNRPAX-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-1-ethynylcyclopropane 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 1-cyclopropyl-1-ethynylcyclopropane?
The IUPAC name of 1-cyclopropyl-1-ethynylcyclopropane (CID 102452879) is 1-cyclopropyl-1-ethynylcyclopropane.
What is the SMILES notation for 1-cyclopropyl-1-ethynylcyclopropane?
The canonical SMILES for 1-cyclopropyl-1-ethynylcyclopropane is C#CC1(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-1-ethynylcyclopropane?
The InChIKey is NJHXIWJLMNRPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-2-8(5-6-8)7-3-4-7/h1,7H,3-6H2.
What are the key properties of 1-cyclopropyl-1-ethynylcyclopropane?
1-cyclopropyl-1-ethynylcyclopropane has a molecular weight of 106.17 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethynylcyclopropane is sourced from PubChem (CID 102452879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).