1-ethyl-3-methylidenecyclobutane

C7H12 — CID 549131

IUPAC1-ethyl-3-methylidenecyclobutane
SMILESC=C1CC(CC)C1
InChIInChI=1S/C7H12/c1-3-7-4-6(2)5-7/h7H,2-5H2,1H3
InChIKeyIDCOKWFSONUPDS-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.36
Rot. Bonds1

About 1-ethyl-3-methylidenecyclobutane

1-ethyl-3-methylidenecyclobutane (PubChem CID 549131) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 1-ethyl-3-methylidenecyclobutane.

Molecular Properties

Compound Name1-ethyl-3-methylidenecyclobutane
PubChem CID549131
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name1-ethyl-3-methylidenecyclobutane
SMILESC=C1CC(CC)C1
InChIInChI=1S/C7H12/c1-3-7-4-6(2)5-7/h7H,2-5H2,1H3
InChIKeyIDCOKWFSONUPDS-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.36
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 1-ethyl-3-methylidenecyclobutane?
The IUPAC name of 1-ethyl-3-methylidenecyclobutane (CID 549131) is 1-ethyl-3-methylidenecyclobutane.
What is the SMILES notation for 1-ethyl-3-methylidenecyclobutane?
The canonical SMILES for 1-ethyl-3-methylidenecyclobutane is C=C1CC(CC)C1.
What is the InChIKey of 1-ethyl-3-methylidenecyclobutane?
The InChIKey is IDCOKWFSONUPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-3-7-4-6(2)5-7/h7H,2-5H2,1H3.
What are the key properties of 1-ethyl-3-methylidenecyclobutane?
1-ethyl-3-methylidenecyclobutane has a molecular weight of 96.17 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylidenecyclobutane is sourced from PubChem (CID 549131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).