5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole

C15H16O2 — CID 168896096

IUPAC5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole
SMILESC=C(Cc1ccc2c(c1)OCO2)C1C2CCC21
InChIInChI=1S/C15H16O2/c1-9(15-11-3-4-12(11)15)6-10-2-5-13-14(7-10)17-8-16-13/h2,5,7,11-12,15H,1,3-4,6,8H2
InChIKeyQUNZOGWYVIFXSC-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.17
Rot. Bonds3

About 5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole

5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole (PubChem CID 168896096) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole
PubChem CID168896096
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole
SMILESC=C(Cc1ccc2c(c1)OCO2)C1C2CCC21
InChIInChI=1S/C15H16O2/c1-9(15-11-3-4-12(11)15)6-10-2-5-13-14(7-10)17-8-16-13/h2,5,7,11-12,15H,1,3-4,6,8H2
InChIKeyQUNZOGWYVIFXSC-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-cyclobutylethanone
CID 168896088
2-(1,3-benzodioxol-5-yl)acetic acid;hydrochloride
CID 67706541
[1-amino-2-(1,3-benzodioxol-5-yl)ethylidene]azanium
CID 6346816
5-[2-(1,3-benzodioxol-5-yl)ethyl]-6-[6-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole
CID 172870982
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 42724635
1-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-2-ol
CID 82127616
2-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)ethanamine
CID 67231826
3-(1,3-benzodioxol-5-yl)-2-sulfanylidenepropanoic acid
CID 601441
1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium
CID 4745321
N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
CID 15932105
ethanol;5-prop-2-enyl-1,3-benzodioxole
CID 175326771
2-(1,3-benzodioxol-5-yl)-1-(1,3-oxazol-5-yl)ethanone
CID 168896066

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole?
The IUPAC name of 5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole (CID 168896096) is 5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole.
What is the SMILES notation for 5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole?
The canonical SMILES for 5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole is C=C(Cc1ccc2c(c1)OCO2)C1C2CCC21.
What is the InChIKey of 5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole?
The InChIKey is QUNZOGWYVIFXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9(15-11-3-4-12(11)15)6-10-2-5-13-14(7-10)17-8-16-13/h2,5,7,11-12,15H,1,3-4,6,8H2.
What are the key properties of 5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole?
5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole has a molecular weight of 228.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-bicyclo[2.1.0]pentanyl)prop-2-enyl]-1,3-benzodioxole is sourced from PubChem (CID 168896096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).