1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol

C16H14N4O3 — CID 3569405

IUPAC1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol
SMILESCc1ccc2c(c1)c(/N=N/c1ccc([N+](=O)[O-])cc1)c(O)n2C
InChIInChI=1S/C16H14N4O3/c1-10-3-8-14-13(9-10)15(16(21)19(14)2)18-17-11-4-6-12(7-5-11)20(22)23/h3-9,21H,1-2H3/b18-17+
InChIKeyHUIPOOCZSULAKZ-ISLYRVAYSA-N
MW310.31 g/mol
LogP4.52
Rot. Bonds3

About 1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol

1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol (PubChem CID 3569405) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol
PubChem CID3569405
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol
SMILESCc1ccc2c(c1)c(/N=N/c1ccc([N+](=O)[O-])cc1)c(O)n2C
InChIInChI=1S/C16H14N4O3/c1-10-3-8-14-13(9-10)15(16(21)19(14)2)18-17-11-4-6-12(7-5-11)20(22)23/h3-9,21H,1-2H3/b18-17+
InChIKeyHUIPOOCZSULAKZ-ISLYRVAYSA-N
XLogP4.52
TPSA93.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 54.52
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-Methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 2767481
(3Z)-3-[(2-hydroxyphenyl)hydrazinylidene]-1-prop-2-enylindol-2-one
CID 135857069
(E)-1-benzyl-3-(hydroxyimino)indolin-2-one
CID 921636
(3Z)-5-Methyl-1H-indole-2,3-dione 3-oxime
CID 583072
(Z)-3-(Hydroxyimino)-1-methylindolin-2-one
CID 18631
1-Ethyl-3-hydrazono-1,3-dihydro-indol-2-one
CID 2386107
(E)-N'-(1-methyl-2-oxoindolin-3-ylidene)-2-(p-tolylamino)acetohydrazide
CID 773026
1-Allyl-5-methyl-1H-indole-2,3-dione 3-oxime
CID 794261
5-Methyl-3-[2-(2-methylphenyl)hydrazinyl]indol-2-one
CID 3091340
1-Allyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 3101769
1-Methyl-3-(o-tolyl-hydrazono)-1,3-dihydro-indol-2-one
CID 3101792
2-[(4-methylphenyl)amino]-N'-[(3E)-5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide (non-preferred name)
CID 3257213

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol?
The IUPAC name of 1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol (CID 3569405) is 1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol.
What is the SMILES notation for 1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol?
The canonical SMILES for 1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol is Cc1ccc2c(c1)c(/N=N/c1ccc([N+](=O)[O-])cc1)c(O)n2C.
What is the InChIKey of 1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol?
The InChIKey is HUIPOOCZSULAKZ-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10-3-8-14-13(9-10)15(16(21)19(14)2)18-17-11-4-6-12(7-5-11)20(22)23/h3-9,21H,1-2H3/b18-17+.
What are the key properties of 1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol?
1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol has a molecular weight of 310.31 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[(4-nitrophenyl)diazenyl]indol-2-ol is sourced from PubChem (CID 3569405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).