2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene

C11H14 — CID 174947886

IUPAC2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene
SMILESC1=C(C2=C3CCC(C3)C2)CC1
InChIInChI=1S/C11H14/c1-2-9(3-1)11-7-8-4-5-10(11)6-8/h2,8H,1,3-7H2
InChIKeyMVUUTGUXBWSEAI-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.21
Rot. Bonds1

About 2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene

2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene (PubChem CID 174947886) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene
PubChem CID174947886
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene
SMILESC1=C(C2=C3CCC(C3)C2)CC1
InChIInChI=1S/C11H14/c1-2-9(3-1)11-7-8-4-5-10(11)6-8/h2,8H,1,3-7H2
InChIKeyMVUUTGUXBWSEAI-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene 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-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene?
The IUPAC name of 2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene (CID 174947886) is 2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene is C1=C(C2=C3CCC(C3)C2)CC1.
What is the InChIKey of 2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene?
The InChIKey is MVUUTGUXBWSEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-2-9(3-1)11-7-8-4-5-10(11)6-8/h2,8H,1,3-7H2.
What are the key properties of 2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene?
2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene has a molecular weight of 146.23 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobuten-1-yl)bicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 174947886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).