1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol

C17H16N4O3 — CID 135819452

IUPAC1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol
SMILESCCn1c(O)c(/N=N/c2ccccc2[N+](=O)[O-])c2cc(C)ccc21
InChIInChI=1S/C17H16N4O3/c1-3-20-14-9-8-11(2)10-12(14)16(17(20)22)19-18-13-6-4-5-7-15(13)21(23)24/h4-10,22H,3H2,1-2H3/b19-18+
InChIKeyCRXWXSHAOLHGLQ-VHEBQXMUSA-N
MW324.34 g/mol
LogP5.00
Rot. Bonds4

About 1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol

1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol (PubChem CID 135819452) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol.

Molecular Properties

Compound Name1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol
PubChem CID135819452
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol
SMILESCCn1c(O)c(/N=N/c2ccccc2[N+](=O)[O-])c2cc(C)ccc21
InChIInChI=1S/C17H16N4O3/c1-3-20-14-9-8-11(2)10-12(14)16(17(20)22)19-18-13-6-4-5-7-15(13)21(23)24/h4-10,22H,3H2,1-2H3/b19-18+
InChIKeyCRXWXSHAOLHGLQ-VHEBQXMUSA-N
XLogP5.00
TPSA93.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol
CID 3899807
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
4-[(1-ethyl-2-hydroxyindol-3-yl)diazenyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 3358050
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
CID 4501413
N-(1-ethyl-2-hydroxyindol-3-yl)imino-3,5-dinitrobenzamide
CID 3522953
4-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3252841
(2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide
CID 135747864
N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide
CID 135575866
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
N-(5-bromo-1-ethyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 136863459
N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide
CID 2295445
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol?
The IUPAC name of 1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol (CID 135819452) is 1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol.
What is the SMILES notation for 1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol?
The canonical SMILES for 1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol is CCn1c(O)c(/N=N/c2ccccc2[N+](=O)[O-])c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol?
The InChIKey is CRXWXSHAOLHGLQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-3-20-14-9-8-11(2)10-12(14)16(17(20)22)19-18-13-6-4-5-7-15(13)21(23)24/h4-10,22H,3H2,1-2H3/b19-18+.
What are the key properties of 1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol?
1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol has a molecular weight of 324.34 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol is sourced from PubChem (CID 135819452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).