pent-2-enylcyclopropane

C8H14 — CID 91286227

IUPACpent-2-enylcyclopropane
SMILESCCC=CCC1CC1
InChIInChI=1S/C8H14/c1-2-3-4-5-8-6-7-8/h3-4,8H,2,5-7H2,1H3
InChIKeyZVMNMZLCQRCSES-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds3

About pent-2-enylcyclopropane

pent-2-enylcyclopropane (PubChem CID 91286227) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is pent-2-enylcyclopropane.

Molecular Properties

Compound Namepent-2-enylcyclopropane
PubChem CID91286227
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Namepent-2-enylcyclopropane
SMILESCCC=CCC1CC1
InChIInChI=1S/C8H14/c1-2-3-4-5-8-6-7-8/h3-4,8H,2,5-7H2,1H3
InChIKeyZVMNMZLCQRCSES-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.75
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 pent-2-enylcyclopropane?
The IUPAC name of pent-2-enylcyclopropane (CID 91286227) is pent-2-enylcyclopropane.
What is the SMILES notation for pent-2-enylcyclopropane?
The canonical SMILES for pent-2-enylcyclopropane is CCC=CCC1CC1.
What is the InChIKey of pent-2-enylcyclopropane?
The InChIKey is ZVMNMZLCQRCSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-2-3-4-5-8-6-7-8/h3-4,8H,2,5-7H2,1H3.
What are the key properties of pent-2-enylcyclopropane?
pent-2-enylcyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-enylcyclopropane is sourced from PubChem (CID 91286227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).