5-[(Z)-2-bromoethenyl]-1,3-benzodioxole

C9H7BrO2 — CID 11310703

IUPAC5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
SMILESBr/C=C\c1ccc2c(c1)OCO2
InChIInChI=1S/C9H7BrO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-5H,6H2/b4-3-
InChIKeySVXOJPBBVAQCRW-ARJAWSKDSA-N
MW227.06 g/mol
LogP2.78
Rot. Bonds1

About 5-[(Z)-2-bromoethenyl]-1,3-benzodioxole

5-[(Z)-2-bromoethenyl]-1,3-benzodioxole (PubChem CID 11310703) has the molecular formula C9H7BrO2 and a molecular weight of 227.06 g/mol. Its IUPAC name is 5-[(Z)-2-bromoethenyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
PubChem CID11310703
Molecular FormulaC9H7BrO2
Molecular Weight227.06 g/mol
Exact Mass225.96
IUPAC Name5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
SMILESBr/C=C\c1ccc2c(c1)OCO2
InChIInChI=1S/C9H7BrO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-5H,6H2/b4-3-
InChIKeySVXOJPBBVAQCRW-ARJAWSKDSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole
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5-(3-phenylprop-1-enyl)-1,3-benzodioxole
CID 154074400
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-methylpyridin-1-ium
CID 788688
4-[2-(1,3-benzodioxol-5-yl)ethenyl]-2-fluoroaniline
CID 153491155
(2Z,4E)-5-(1,3-benzodioxol-5-yl)-3-hydroxypenta-2,4-dienoic acid
CID 175378498
1-(1,3-benzodioxol-5-yl)-4-methylpent-1-en-3-ol
CID 3045182
(E)-4-(1,3-benzodioxol-5-yl)-1-(dimethylamino)but-3-en-2-ol
CID 145453443
5-propa-1,2-dienyl-1,3-benzodioxole
CID 15640577
5-[(E)-2-[4-(dimethylsulfamoylamino)phenyl]ethenyl]-1,3-benzodioxole
CID 146600036
5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl chloride
CID 71404419

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-bromoethenyl]-1,3-benzodioxole?
The IUPAC name of 5-[(Z)-2-bromoethenyl]-1,3-benzodioxole (CID 11310703) is 5-[(Z)-2-bromoethenyl]-1,3-benzodioxole.
What is the SMILES notation for 5-[(Z)-2-bromoethenyl]-1,3-benzodioxole?
The canonical SMILES for 5-[(Z)-2-bromoethenyl]-1,3-benzodioxole is Br/C=C\c1ccc2c(c1)OCO2.
What is the InChIKey of 5-[(Z)-2-bromoethenyl]-1,3-benzodioxole?
The InChIKey is SVXOJPBBVAQCRW-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H7BrO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-5H,6H2/b4-3-.
What are the key properties of 5-[(Z)-2-bromoethenyl]-1,3-benzodioxole?
5-[(Z)-2-bromoethenyl]-1,3-benzodioxole has a molecular weight of 227.06 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-bromoethenyl]-1,3-benzodioxole is sourced from PubChem (CID 11310703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).