2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide

C17H14N4O2 — CID 143326661

IUPAC2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide
SMILESO=Nc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H14N4O2/c22-17(9-13-11-18-16-4-2-1-3-15(13)16)20-19-10-12-5-7-14(21-23)8-6-12/h1-8,10-11,18H,9H2,(H,20,22)/b19-10+
InChIKeyLOPGREROLQPMQJ-VXLYETTFSA-N
MW306.33 g/mol
LogP3.26
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide

2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide (PubChem CID 143326661) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide
PubChem CID143326661
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide
SMILESO=Nc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H14N4O2/c22-17(9-13-11-18-16-4-2-1-3-15(13)16)20-19-10-12-5-7-14(21-23)8-6-12/h1-8,10-11,18H,9H2,(H,20,22)/b19-10+
InChIKeyLOPGREROLQPMQJ-VXLYETTFSA-N
XLogP3.26
TPSA86.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 136627449
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5371768
2-(1H-indol-3-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 90481709
N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 6736385
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 42034300
N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
CID 74816610
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5411943
N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 135804145
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
3-[(4-nitrosophenyl)methyl]-1H-indole
CID 139526276
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide (CID 143326661) is 2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide is O=Nc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide?
The InChIKey is LOPGREROLQPMQJ-VXLYETTFSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-17(9-13-11-18-16-4-2-1-3-15(13)16)20-19-10-12-5-7-14(21-23)8-6-12/h1-8,10-11,18H,9H2,(H,20,22)/b19-10+.
What are the key properties of 2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide?
2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide has a molecular weight of 306.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide is sourced from PubChem (CID 143326661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).