ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate

C17H15N3O5 — CID 135784615

IUPACethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C17H15N3O5/c1-2-24-14(21)10-20-12-7-4-3-6-11(12)15(17(20)23)18-19-16(22)13-8-5-9-25-13/h3-9,23H,2,10H2,1H3/b19-18+
InChIKeyMVYJGHFTPPWPIJ-VHEBQXMUSA-N
MW341.32 g/mol
LogP3.43
Rot. Bonds5

About ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate

ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate (PubChem CID 135784615) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate
PubChem CID135784615
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Nameethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C17H15N3O5/c1-2-24-14(21)10-20-12-7-4-3-6-11(12)15(17(20)23)18-19-16(22)13-8-5-9-25-13/h3-9,23H,2,10H2,1H3/b19-18+
InChIKeyMVYJGHFTPPWPIJ-VHEBQXMUSA-N
XLogP3.43
TPSA106.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium
CID 135710479
ethyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135784384
ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135673822
ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate
CID 1365560
ethyl 2-[2-hydroxy-3-(pyridine-3-carbonyldiazenyl)indol-1-yl]acetate
CID 1365617
N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide
CID 3312378
ethyl 2-[2-hydroxy-3-(prop-2-enylcarbamothioyldiazenyl)indol-1-yl]acetate
CID 135731078
ethyl 2-[3-[(2-fluorophenyl)carbamothioyldiazenyl]-2-hydroxyindol-1-yl]acetate
CID 135731034
ethyl 2-[2-hydroxy-3-[[6-[(Z)-hydroxyiminomethyl]pyridine-3-carbonyl]diazenyl]indol-1-yl]acetate
CID 136676044
ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate
CID 3317811
methyl 2-[2-hydroxy-3-[(2-methylbenzoyl)diazenyl]indol-1-yl]acetate
CID 135604079
ethyl 2-[3-[[2-(2,4-dimethylphenoxy)acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
CID 135957357

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate (CID 135784615) is ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate is CCOC(=O)Cn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate?
The InChIKey is MVYJGHFTPPWPIJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-2-24-14(21)10-20-12-7-4-3-6-11(12)15(17(20)23)18-19-16(22)13-8-5-9-25-13/h3-9,23H,2,10H2,1H3/b19-18+.
What are the key properties of ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate?
ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate has a molecular weight of 341.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate is sourced from PubChem (CID 135784615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).