5-[(E)-prop-1-enyl]-1,3-benzodioxole

C10H10O2 — CID 637796

IUPAC5-[(E)-prop-1-enyl]-1,3-benzodioxole
SMILESC/C=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
InChIKeyVHVOLFRBFDOUSH-NSCUHMNNSA-N
MW162.19 g/mol
LogP2.45
Rot. Bonds1

About 5-[(E)-prop-1-enyl]-1,3-benzodioxole

5-[(E)-prop-1-enyl]-1,3-benzodioxole (PubChem CID 637796) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]-1,3-benzodioxole
PubChem CID637796
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name5-[(E)-prop-1-enyl]-1,3-benzodioxole
SMILESC/C=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
InChIKeyVHVOLFRBFDOUSH-NSCUHMNNSA-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

Analyze 5-[(E)-prop-1-enyl]-1,3-benzodioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-prop-1-enyl]-1,3-benzodioxole?
The IUPAC name of 5-[(E)-prop-1-enyl]-1,3-benzodioxole (CID 637796) is 5-[(E)-prop-1-enyl]-1,3-benzodioxole.
What is the SMILES notation for 5-[(E)-prop-1-enyl]-1,3-benzodioxole?
The canonical SMILES for 5-[(E)-prop-1-enyl]-1,3-benzodioxole is C/C=C/c1ccc2c(c1)OCO2.
What is the InChIKey of 5-[(E)-prop-1-enyl]-1,3-benzodioxole?
The InChIKey is VHVOLFRBFDOUSH-NSCUHMNNSA-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/b3-2+.
What are the key properties of 5-[(E)-prop-1-enyl]-1,3-benzodioxole?
5-[(E)-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-[(E)-prop-1-enyl]-1,3-benzodioxole is sourced from PubChem (CID 637796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).