methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate

C13H13N3O5 — CID 932258

IUPACmethyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1c(O)c(/N=N/C(=O)OC)c2ccccc21
InChIInChI=1S/C13H13N3O5/c1-20-10(17)7-16-9-6-4-3-5-8(9)11(12(16)18)14-15-13(19)21-2/h3-6,18H,7H2,1-2H3/b15-14+
InChIKeyXKRFJLAGDIVXIJ-CCEZHUSRSA-N
MW291.26 g/mol
LogP2.37
Rot. Bonds3

About methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate

methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate (PubChem CID 932258) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate
PubChem CID932258
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Namemethyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1c(O)c(/N=N/C(=O)OC)c2ccccc21
InChIInChI=1S/C13H13N3O5/c1-20-10(17)7-16-9-6-4-3-5-8(9)11(12(16)18)14-15-13(19)21-2/h3-6,18H,7H2,1-2H3/b15-14+
InChIKeyXKRFJLAGDIVXIJ-CCEZHUSRSA-N
XLogP2.37
TPSA102.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.37
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

methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
methyl 2-[2-hydroxy-3-[(2-methylbenzoyl)diazenyl]indol-1-yl]acetate
CID 135604079
methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 1270570
methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate
CID 135604078
methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate
CID 135604049
methyl 2-[3-[[2-[(4-ethoxybenzoyl)amino]acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
CID 1417278
methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate
CID 4203470
methyl 2-carbazol-9-ylacetate
CID 3745219
methyl 2-[2-hydroxy-3-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]acetyl]diazenyl]indol-1-yl]acetate
CID 135648157
methyl 2-[2-hydroxy-3-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]diazenyl]indol-1-yl]acetate
CID 3755170
methyl 2-[3-[[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
CID 3586516
tert-butyl N-(1-hexyl-2-hydroxyindol-3-yl)iminocarbamate
CID 135881483

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate?
The IUPAC name of methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate (CID 932258) is methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate is COC(=O)Cn1c(O)c(/N=N/C(=O)OC)c2ccccc21.
What is the InChIKey of methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate?
The InChIKey is XKRFJLAGDIVXIJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-20-10(17)7-16-9-6-4-3-5-8(9)11(12(16)18)14-15-13(19)21-2/h3-6,18H,7H2,1-2H3/b15-14+.
What are the key properties of methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate?
methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate has a molecular weight of 291.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate is sourced from PubChem (CID 932258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).