N-methyl-2-(5-nitroindol-1-yl)acetamide

C11H11N3O3 — CID 47460620

IUPACN-methyl-2-(5-nitroindol-1-yl)acetamide
SMILESCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H11N3O3/c1-12-11(15)7-13-5-4-8-6-9(14(16)17)2-3-10(8)13/h2-6H,7H2,1H3,(H,12,15)
InChIKeyIGEXLIGGYNDHGV-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.30
Rot. Bonds3

About N-methyl-2-(5-nitroindol-1-yl)acetamide

N-methyl-2-(5-nitroindol-1-yl)acetamide (PubChem CID 47460620) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-methyl-2-(5-nitroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-nitroindol-1-yl)acetamide
PubChem CID47460620
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-methyl-2-(5-nitroindol-1-yl)acetamide
SMILESCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H11N3O3/c1-12-11(15)7-13-5-4-8-6-9(14(16)17)2-3-10(8)13/h2-6H,7H2,1H3,(H,12,15)
InChIKeyIGEXLIGGYNDHGV-UHFFFAOYSA-N
XLogP1.30
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-nitroindol-1-yl)acetamide?
The IUPAC name of N-methyl-2-(5-nitroindol-1-yl)acetamide (CID 47460620) is N-methyl-2-(5-nitroindol-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(5-nitroindol-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(5-nitroindol-1-yl)acetamide is CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of N-methyl-2-(5-nitroindol-1-yl)acetamide?
The InChIKey is IGEXLIGGYNDHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-12-11(15)7-13-5-4-8-6-9(14(16)17)2-3-10(8)13/h2-6H,7H2,1H3,(H,12,15).
What are the key properties of N-methyl-2-(5-nitroindol-1-yl)acetamide?
N-methyl-2-(5-nitroindol-1-yl)acetamide has a molecular weight of 233.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-nitroindol-1-yl)acetamide is sourced from PubChem (CID 47460620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).