5-prop-2-enyl-1,3-benzodioxole

C10H10O2 — CID 5144

IUPAC5-prop-2-enyl-1,3-benzodioxole
SMILESC=CCc1ccc2c(c1)OCO2
InChIInChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
InChIKeyZMQAAUBTXCXRIC-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.14
Rot. Bonds2

About 5-prop-2-enyl-1,3-benzodioxole

5-prop-2-enyl-1,3-benzodioxole (PubChem CID 5144) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-prop-2-enyl-1,3-benzodioxole.

Molecular Properties

Compound Name5-prop-2-enyl-1,3-benzodioxole
PubChem CID5144
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name5-prop-2-enyl-1,3-benzodioxole
SMILESC=CCc1ccc2c(c1)OCO2
InChIInChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
InChIKeyZMQAAUBTXCXRIC-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-prop-2-enyl-1,3-benzodioxole?
The IUPAC name of 5-prop-2-enyl-1,3-benzodioxole (CID 5144) is 5-prop-2-enyl-1,3-benzodioxole.
What is the SMILES notation for 5-prop-2-enyl-1,3-benzodioxole?
The canonical SMILES for 5-prop-2-enyl-1,3-benzodioxole is C=CCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-prop-2-enyl-1,3-benzodioxole?
The InChIKey is ZMQAAUBTXCXRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2.
What are the key properties of 5-prop-2-enyl-1,3-benzodioxole?
5-prop-2-enyl-1,3-benzodioxole has a molecular weight of 162.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1,3-benzodioxole is sourced from PubChem (CID 5144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).