2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene

C8H12 — CID 91349649

IUPAC2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene
SMILESCCC1=C2CC2C1C
InChIInChI=1S/C8H12/c1-3-6-5(2)7-4-8(6)7/h5,7H,3-4H2,1-2H3
InChIKeyAXKJNBUPYWWTES-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds1

About 2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene

2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene (PubChem CID 91349649) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene.

Molecular Properties

Compound Name2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene
PubChem CID91349649
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene
SMILESCCC1=C2CC2C1C
InChIInChI=1S/C8H12/c1-3-6-5(2)7-4-8(6)7/h5,7H,3-4H2,1-2H3
InChIKeyAXKJNBUPYWWTES-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
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 2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene?
The IUPAC name of 2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene (CID 91349649) is 2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene.
What is the SMILES notation for 2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene?
The canonical SMILES for 2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene is CCC1=C2CC2C1C.
What is the InChIKey of 2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene?
The InChIKey is AXKJNBUPYWWTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-3-6-5(2)7-4-8(6)7/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene?
2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene has a molecular weight of 108.18 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 2-ethyl-3-methylbicyclo[2.1.0]pent-1-ene is sourced from PubChem (CID 91349649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).