ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate

C18H15N3O3 — CID 12943686

IUPACethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate
SMILESCCOC(=O)C(C)(C#N)/N=N/c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H15N3O3/c1-3-23-17(22)18(2,11-19)21-20-12-8-9-16-14(10-12)13-6-4-5-7-15(13)24-16/h4-10H,3H2,1-2H3/b21-20+
InChIKeyZWKUYVJXADOONM-QZQOTICOSA-N
MW321.34 g/mol
LogP4.52
Rot. Bonds4

About ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate

ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate (PubChem CID 12943686) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate
PubChem CID12943686
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Nameethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate
SMILESCCOC(=O)C(C)(C#N)/N=N/c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H15N3O3/c1-3-23-17(22)18(2,11-19)21-20-12-8-9-16-14(10-12)13-6-4-5-7-15(13)24-16/h4-10H,3H2,1-2H3/b21-20+
InChIKeyZWKUYVJXADOONM-QZQOTICOSA-N
XLogP4.52
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate
CID 163791926
ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate
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ethyl (E)-2-cyano-3-(3-hydroxy-1-benzofuran-2-yl)prop-2-enoate
CID 54697350
N-dibenzofuran-2-ylbutan-1-imine;ethane
CID 145027884
ethyl 2-(1,3-benzoxazol-2-yl)-2-cyanobutanoate
CID 54342024
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
diethyl 2-methyl-2-[2-(4-oxochromen-2-yl)phenyl]propanedioate
CID 22764008
ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate
CID 162377128
dibenzofuran;ethanol
CID 174821059
2-dibenzofuran-2-yl-2-hydroxypropanoic acid
CID 163411383
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
ethyl dibenzofuran-1-carboxylate
CID 11858911

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate?
The IUPAC name of ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate (CID 12943686) is ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate.
What is the SMILES notation for ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate?
The canonical SMILES for ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate is CCOC(=O)C(C)(C#N)/N=N/c1ccc2oc3ccccc3c2c1.
What is the InChIKey of ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate?
The InChIKey is ZWKUYVJXADOONM-QZQOTICOSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-3-23-17(22)18(2,11-19)21-20-12-8-9-16-14(10-12)13-6-4-5-7-15(13)24-16/h4-10H,3H2,1-2H3/b21-20+.
What are the key properties of ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate?
ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate has a molecular weight of 321.34 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate is sourced from PubChem (CID 12943686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).