5-ethylbicyclo[2.1.0]pentane

C7H12 — CID 91139914

IUPAC5-ethylbicyclo[2.1.0]pentane
SMILESCCC1C2CCC12
InChIInChI=1S/C7H12/c1-2-5-6-3-4-7(5)6/h5-7H,2-4H2,1H3
InChIKeyCKMYDRMHZDTQMI-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.05
Rot. Bonds1

About 5-ethylbicyclo[2.1.0]pentane

5-ethylbicyclo[2.1.0]pentane (PubChem CID 91139914) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 5-ethylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name5-ethylbicyclo[2.1.0]pentane
PubChem CID91139914
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name5-ethylbicyclo[2.1.0]pentane
SMILESCCC1C2CCC12
InChIInChI=1S/C7H12/c1-2-5-6-3-4-7(5)6/h5-7H,2-4H2,1H3
InChIKeyCKMYDRMHZDTQMI-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethylbicyclo[2.1.0]pentane?
The IUPAC name of 5-ethylbicyclo[2.1.0]pentane (CID 91139914) is 5-ethylbicyclo[2.1.0]pentane.
What is the SMILES notation for 5-ethylbicyclo[2.1.0]pentane?
The canonical SMILES for 5-ethylbicyclo[2.1.0]pentane is CCC1C2CCC12.
What is the InChIKey of 5-ethylbicyclo[2.1.0]pentane?
The InChIKey is CKMYDRMHZDTQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-2-5-6-3-4-7(5)6/h5-7H,2-4H2,1H3.
What are the key properties of 5-ethylbicyclo[2.1.0]pentane?
5-ethylbicyclo[2.1.0]pentane has a molecular weight of 96.17 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylbicyclo[2.1.0]pentane is sourced from PubChem (CID 91139914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).