N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide

C10H8N4O4 — CID 4658670

IUPACN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
SMILESCC(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C10H8N4O4/c1-5(15)12-13-9-7-4-6(14(17)18)2-3-8(7)11-10(9)16/h2-4,11,16H,1H3/b13-12+
InChIKeyYTZFIQVZKGKJSS-OUKQBFOZSA-N
MW248.20 g/mol
LogP2.41
Rot. Bonds2

About N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide (PubChem CID 4658670) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
PubChem CID4658670
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
SMILESCC(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C10H8N4O4/c1-5(15)12-13-9-7-4-6(14(17)18)2-3-8(7)11-10(9)16/h2-4,11,16H,1H3/b13-12+
InChIKeyYTZFIQVZKGKJSS-OUKQBFOZSA-N
XLogP2.41
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
CID 135544236
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-3-nitrobenzamide
CID 3675152
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
CID 3870793
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide
CID 135592265
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide
CID 3382763
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-1-carboxamide
CID 135647538
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]pyridine-2-carboxamide
CID 3101810
(2R)-2-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenylacetamide
CID 135617256
(2S)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenoxypropanamide
CID 135677932
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
CID 3718763
(2S)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]spiro[2.3]hexane-2-carboxamide
CID 135794995

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide?
The IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide (CID 4658670) is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide is CC(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide?
The InChIKey is YTZFIQVZKGKJSS-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H8N4O4/c1-5(15)12-13-9-7-4-6(14(17)18)2-3-8(7)11-10(9)16/h2-4,11,16H,1H3/b13-12+.
What are the key properties of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide?
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide has a molecular weight of 248.20 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 4658670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).