4-prop-2-enyl-1,3-benzodioxol-2-one

C10H8O3 — CID 140551297

IUPAC4-prop-2-enyl-1,3-benzodioxol-2-one
SMILESC=CCc1cccc2oc(=O)oc12
InChIInChI=1S/C10H8O3/c1-2-4-7-5-3-6-8-9(7)13-10(11)12-8/h2-3,5-6H,1,4H2
InChIKeyPCWCXISSNGBOIS-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.11
Rot. Bonds2

About 4-prop-2-enyl-1,3-benzodioxol-2-one

4-prop-2-enyl-1,3-benzodioxol-2-one (PubChem CID 140551297) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-prop-2-enyl-1,3-benzodioxol-2-one.

Molecular Properties

Compound Name4-prop-2-enyl-1,3-benzodioxol-2-one
PubChem CID140551297
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name4-prop-2-enyl-1,3-benzodioxol-2-one
SMILESC=CCc1cccc2oc(=O)oc12
InChIInChI=1S/C10H8O3/c1-2-4-7-5-3-6-8-9(7)13-10(11)12-8/h2-3,5-6H,1,4H2
InChIKeyPCWCXISSNGBOIS-UHFFFAOYSA-N
XLogP2.11
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-[(4-oxo-8-prop-2-enylchromen-3-yl)methylidene]propanedinitrile
CID 177499591
2,6-bis(prop-2-enyl)benzonitrile
CID 67300787
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one
CID 56694172
4-prop-2-enylchromen-2-one
CID 87576645
2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one
CID 10871114
1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione
CID 70255225
7-prop-2-enyl-1-benzofuran
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CID 10957288

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1,3-benzodioxol-2-one?
The IUPAC name of 4-prop-2-enyl-1,3-benzodioxol-2-one (CID 140551297) is 4-prop-2-enyl-1,3-benzodioxol-2-one.
What is the SMILES notation for 4-prop-2-enyl-1,3-benzodioxol-2-one?
The canonical SMILES for 4-prop-2-enyl-1,3-benzodioxol-2-one is C=CCc1cccc2oc(=O)oc12.
What is the InChIKey of 4-prop-2-enyl-1,3-benzodioxol-2-one?
The InChIKey is PCWCXISSNGBOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c1-2-4-7-5-3-6-8-9(7)13-10(11)12-8/h2-3,5-6H,1,4H2.
What are the key properties of 4-prop-2-enyl-1,3-benzodioxol-2-one?
4-prop-2-enyl-1,3-benzodioxol-2-one has a molecular weight of 176.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1,3-benzodioxol-2-one is sourced from PubChem (CID 140551297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).