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

C10H10O2 — CID 8439

IUPAC5-prop-1-enyl-1,3-benzodioxole
SMILESCC=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3
InChIKeyVHVOLFRBFDOUSH-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.45
Rot. Bonds1

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

5-prop-1-enyl-1,3-benzodioxole (PubChem CID 8439) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-prop-1-enyl-1,3-benzodioxole.

Molecular Properties

Compound Name5-prop-1-enyl-1,3-benzodioxole
PubChem CID8439
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name5-prop-1-enyl-1,3-benzodioxole
SMILESCC=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3
InChIKeyVHVOLFRBFDOUSH-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Sulfoxide
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Frequently Asked Questions

What is the IUPAC name of 5-prop-1-enyl-1,3-benzodioxole?
The IUPAC name of 5-prop-1-enyl-1,3-benzodioxole (CID 8439) is 5-prop-1-enyl-1,3-benzodioxole.
What is the SMILES notation for 5-prop-1-enyl-1,3-benzodioxole?
The canonical SMILES for 5-prop-1-enyl-1,3-benzodioxole is CC=Cc1ccc2c(c1)OCO2.
What is the InChIKey of 5-prop-1-enyl-1,3-benzodioxole?
The InChIKey is VHVOLFRBFDOUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3.
What are the key properties of 5-prop-1-enyl-1,3-benzodioxole?
5-prop-1-enyl-1,3-benzodioxole has a molecular weight of 162.19 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-enyl-1,3-benzodioxole is sourced from PubChem (CID 8439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).