cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone

C18H16N2O3 — CID 25250095

IUPACcyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
SMILESO=C(c1cc2c(cc1/N=N/c1ccccc1)OCCO2)C1CC1
InChIInChI=1S/C18H16N2O3/c21-18(12-6-7-12)14-10-16-17(23-9-8-22-16)11-15(14)20-19-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2/b20-19+
InChIKeyCTDFILZBURZQEF-FMQUCBEESA-N
MW308.34 g/mol
LogP4.47
Rot. Bonds4

About cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone

cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone (PubChem CID 25250095) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
PubChem CID25250095
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namecyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
SMILESO=C(c1cc2c(cc1/N=N/c1ccccc1)OCCO2)C1CC1
InChIInChI=1S/C18H16N2O3/c21-18(12-6-7-12)14-10-16-17(23-9-8-22-16)11-15(14)20-19-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2/b20-19+
InChIKeyCTDFILZBURZQEF-FMQUCBEESA-N
XLogP4.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[7-[6-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-2,3-dihydro-1,4-benzodioxin-6-yl]-cyclopropylmethanone
CID 45490382
cyclohexyl-(2-phenyldiazenylphenyl)methanone
CID 134844297
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropylmethanone
CID 25250103
N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide
CID 25249348
cyclopropyl-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
CID 168528761
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cycloheptylmethanone
CID 62587037
2-[[[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]methylidene]propanedinitrile
CID 168545478
5-[[[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168541013
2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone
CID 90477242
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxolan-3-yl)methanone
CID 61272983
cyclopropyl-(2-hydroxyphenyl)methanone
CID 14638095

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone?
The IUPAC name of cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone (CID 25250095) is cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone.
What is the SMILES notation for cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone?
The canonical SMILES for cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone is O=C(c1cc2c(cc1/N=N/c1ccccc1)OCCO2)C1CC1.
What is the InChIKey of cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone?
The InChIKey is CTDFILZBURZQEF-FMQUCBEESA-N. The full InChI is InChI=1S/C18H16N2O3/c21-18(12-6-7-12)14-10-16-17(23-9-8-22-16)11-15(14)20-19-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2/b20-19+.
What are the key properties of cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone?
cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone has a molecular weight of 308.34 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone is sourced from PubChem (CID 25250095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).