1-cyclopropyl-2-ethenylcyclobutane

C9H14 — CID 549304

IUPAC1-cyclopropyl-2-ethenylcyclobutane
SMILESC=CC1CCC1C1CC1
InChIInChI=1S/C9H14/c1-2-7-5-6-9(7)8-3-4-8/h2,7-9H,1,3-6H2
InChIKeyLSEHFTQDASKTOZ-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds2

About 1-cyclopropyl-2-ethenylcyclobutane

1-cyclopropyl-2-ethenylcyclobutane (PubChem CID 549304) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethenylcyclobutane.

Molecular Properties

Compound Name1-cyclopropyl-2-ethenylcyclobutane
PubChem CID549304
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-cyclopropyl-2-ethenylcyclobutane
SMILESC=CC1CCC1C1CC1
InChIInChI=1S/C9H14/c1-2-7-5-6-9(7)8-3-4-8/h2,7-9H,1,3-6H2
InChIKeyLSEHFTQDASKTOZ-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-2-ethenylcyclobutane 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-2-ethenylcyclobutane?
The IUPAC name of 1-cyclopropyl-2-ethenylcyclobutane (CID 549304) is 1-cyclopropyl-2-ethenylcyclobutane.
What is the SMILES notation for 1-cyclopropyl-2-ethenylcyclobutane?
The canonical SMILES for 1-cyclopropyl-2-ethenylcyclobutane is C=CC1CCC1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-ethenylcyclobutane?
The InChIKey is LSEHFTQDASKTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-7-5-6-9(7)8-3-4-8/h2,7-9H,1,3-6H2.
What are the key properties of 1-cyclopropyl-2-ethenylcyclobutane?
1-cyclopropyl-2-ethenylcyclobutane has a molecular weight of 122.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-ethenylcyclobutane is sourced from PubChem (CID 549304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).