prop-2-enylcyclopropane

C6H10 — CID 524670

IUPACprop-2-enylcyclopropane
SMILESC=CCC1CC1
InChIInChI=1S/C6H10/c1-2-3-6-4-5-6/h2,6H,1,3-5H2
InChIKeyKFOFBFGOHWSECN-UHFFFAOYSA-N
MW82.15 g/mol
LogP1.97
Rot. Bonds2

About prop-2-enylcyclopropane

prop-2-enylcyclopropane (PubChem CID 524670) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is prop-2-enylcyclopropane.

Molecular Properties

Compound Nameprop-2-enylcyclopropane
PubChem CID524670
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Nameprop-2-enylcyclopropane
SMILESC=CCC1CC1
InChIInChI=1S/C6H10/c1-2-3-6-4-5-6/h2,6H,1,3-5H2
InChIKeyKFOFBFGOHWSECN-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 51.97
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 prop-2-enylcyclopropane?
The IUPAC name of prop-2-enylcyclopropane (CID 524670) is prop-2-enylcyclopropane.
What is the SMILES notation for prop-2-enylcyclopropane?
The canonical SMILES for prop-2-enylcyclopropane is C=CCC1CC1.
What is the InChIKey of prop-2-enylcyclopropane?
The InChIKey is KFOFBFGOHWSECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10/c1-2-3-6-4-5-6/h2,6H,1,3-5H2.
What are the key properties of prop-2-enylcyclopropane?
prop-2-enylcyclopropane has a molecular weight of 82.15 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylcyclopropane is sourced from PubChem (CID 524670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).