5-propa-1,2-dienyl-1,3-benzodioxole

C10H8O2 — CID 15640577

IUPAC5-propa-1,2-dienyl-1,3-benzodioxole
SMILESC=C=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H8O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h3-6H,1,7H2
InChIKeyFVQYWQQRBVKMSF-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.21
Rot. Bonds1

About 5-propa-1,2-dienyl-1,3-benzodioxole

5-propa-1,2-dienyl-1,3-benzodioxole (PubChem CID 15640577) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 5-propa-1,2-dienyl-1,3-benzodioxole.

Molecular Properties

Compound Name5-propa-1,2-dienyl-1,3-benzodioxole
PubChem CID15640577
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name5-propa-1,2-dienyl-1,3-benzodioxole
SMILESC=C=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H8O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h3-6H,1,7H2
InChIKeyFVQYWQQRBVKMSF-UHFFFAOYSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
CID 11310703
formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 6442051
(Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ol
CID 143128827
(E)-3-(1,3-benzodioxol-5-yl)prop-2-enal
CID 5374493
1-(1,3-benzodioxol-5-yl)-N-methylmethanimine oxide
CID 12062652
(Z)-1-(1,3-benzodioxol-5-yl)-2-hydroxy-4-methylpent-1-en-3-one
CID 130434088
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
(2E,3E)-2,3-bis(1,3-benzodioxol-5-ylmethylidene)butanedioic acid
CID 11090237
5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine
CID 66703897
4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-methylpyridin-1-ium
CID 788688
1-N',2-N'-bis[(E)-1,3-benzodioxol-5-ylmethylideneamino]ethanediimidamide
CID 98572403
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CID 153491155

Frequently Asked Questions

What is the IUPAC name of 5-propa-1,2-dienyl-1,3-benzodioxole?
The IUPAC name of 5-propa-1,2-dienyl-1,3-benzodioxole (CID 15640577) is 5-propa-1,2-dienyl-1,3-benzodioxole.
What is the SMILES notation for 5-propa-1,2-dienyl-1,3-benzodioxole?
The canonical SMILES for 5-propa-1,2-dienyl-1,3-benzodioxole is C=C=Cc1ccc2c(c1)OCO2.
What is the InChIKey of 5-propa-1,2-dienyl-1,3-benzodioxole?
The InChIKey is FVQYWQQRBVKMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h3-6H,1,7H2.
What are the key properties of 5-propa-1,2-dienyl-1,3-benzodioxole?
5-propa-1,2-dienyl-1,3-benzodioxole has a molecular weight of 160.17 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propa-1,2-dienyl-1,3-benzodioxole is sourced from PubChem (CID 15640577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).