1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine

C15H13N3O2 — CID 132576850

IUPAC1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine
SMILESCN1C/C(=N\c2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C15H13N3O2/c1-17-10-14(13-4-2-3-5-15(13)17)16-11-6-8-12(9-7-11)18(19)20/h2-9H,10H2,1H3/b16-14+
InChIKeySCPJMAIAQCHVCL-JQIJEIRASA-N
MW267.29 g/mol
LogP3.17
Rot. Bonds2

About 1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine

1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine (PubChem CID 132576850) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine.

Molecular Properties

Compound Name1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine
PubChem CID132576850
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine
SMILESCN1C/C(=N\c2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C15H13N3O2/c1-17-10-14(13-4-2-3-5-15(13)17)16-11-6-8-12(9-7-11)18(19)20/h2-9H,10H2,1H3/b16-14+
InChIKeySCPJMAIAQCHVCL-JQIJEIRASA-N
XLogP3.17
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine?
The IUPAC name of 1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine (CID 132576850) is 1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine.
What is the SMILES notation for 1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine?
The canonical SMILES for 1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine is CN1C/C(=N\c2ccc([N+](=O)[O-])cc2)c2ccccc21.
What is the InChIKey of 1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine?
The InChIKey is SCPJMAIAQCHVCL-JQIJEIRASA-N. The full InChI is InChI=1S/C15H13N3O2/c1-17-10-14(13-4-2-3-5-15(13)17)16-11-6-8-12(9-7-11)18(19)20/h2-9H,10H2,1H3/b16-14+.
What are the key properties of 1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine?
1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine has a molecular weight of 267.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine is sourced from PubChem (CID 132576850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).