Benzylidenecyclobutane

C11H12 — CID 10975609

IUPACcyclobutylidenemethylbenzene
SMILESC1CC(=CC2=CC=CC=C2)C1
InChIInChI=1S/C11H12/c1-2-5-10(6-3-1)9-11-7-4-8-11/h1-3,5-6,9H,4,7-8H2
InChIKeyFMNVZMFCAFXEKF-UHFFFAOYSA-N
MW144.21 g/mol
LogP3.00
Rot. Bonds1

About Benzylidenecyclobutane

Benzylidenecyclobutane (PubChem CID 10975609) has the molecular formula C11H12 and a molecular weight of 144.21 g/mol. Its IUPAC name is cyclobutylidenemethylbenzene.

Molecular Properties

Compound NameBenzylidenecyclobutane
PubChem CID10975609
Molecular FormulaC11H12
Molecular Weight144.21 g/mol
Exact Mass144.09
IUPAC Namecyclobutylidenemethylbenzene
SMILESC1CC(=CC2=CC=CC=C2)C1
InChIInChI=1S/C11H12/c1-2-5-10(6-3-1)9-11-7-4-8-11/h1-3,5-6,9H,4,7-8H2
InChIKeyFMNVZMFCAFXEKF-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity143

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of Benzylidenecyclobutane?
The IUPAC name of Benzylidenecyclobutane (CID 10975609) is cyclobutylidenemethylbenzene.
What is the SMILES notation for Benzylidenecyclobutane?
The canonical SMILES for Benzylidenecyclobutane is C1CC(=CC2=CC=CC=C2)C1.
What is the InChIKey of Benzylidenecyclobutane?
The InChIKey is FMNVZMFCAFXEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-2-5-10(6-3-1)9-11-7-4-8-11/h1-3,5-6,9H,4,7-8H2.
What are the key properties of Benzylidenecyclobutane?
Benzylidenecyclobutane has a molecular weight of 144.21 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Benzylidenecyclobutane is sourced from PubChem (CID 10975609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).