[(1S)-2-methylidenecyclobutyl]benzene

C11H12 — CID 163933386

IUPAC[(1S)-2-methylidenecyclobutyl]benzene
SMILESC=C1CC[C@@H]1c1ccccc1
InChIInChI=1S/C11H12/c1-9-7-8-11(9)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2/t11-/m0/s1
InChIKeyRKPYARNIQKSQDZ-NSHDSACASA-N
MW144.22 g/mol
LogP3.12
Rot. Bonds1

About [(1S)-2-methylidenecyclobutyl]benzene

[(1S)-2-methylidenecyclobutyl]benzene (PubChem CID 163933386) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is [(1S)-2-methylidenecyclobutyl]benzene.

Molecular Properties

Compound Name[(1S)-2-methylidenecyclobutyl]benzene
PubChem CID163933386
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name[(1S)-2-methylidenecyclobutyl]benzene
SMILESC=C1CC[C@@H]1c1ccccc1
InChIInChI=1S/C11H12/c1-9-7-8-11(9)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2/t11-/m0/s1
InChIKeyRKPYARNIQKSQDZ-NSHDSACASA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-methylidenecyclobutyl]benzene?
The IUPAC name of [(1S)-2-methylidenecyclobutyl]benzene (CID 163933386) is [(1S)-2-methylidenecyclobutyl]benzene.
What is the SMILES notation for [(1S)-2-methylidenecyclobutyl]benzene?
The canonical SMILES for [(1S)-2-methylidenecyclobutyl]benzene is C=C1CC[C@@H]1c1ccccc1.
What is the InChIKey of [(1S)-2-methylidenecyclobutyl]benzene?
The InChIKey is RKPYARNIQKSQDZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H12/c1-9-7-8-11(9)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2/t11-/m0/s1.
What are the key properties of [(1S)-2-methylidenecyclobutyl]benzene?
[(1S)-2-methylidenecyclobutyl]benzene has a molecular weight of 144.22 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-methylidenecyclobutyl]benzene is sourced from PubChem (CID 163933386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).