1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine

C16H13N3O2 — CID 3284671

IUPAC1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine
SMILESCc1[nH]c2ccccc2c1/C=N/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H13N3O2/c1-11-13(12-6-2-3-7-14(12)18-11)10-17-15-8-4-5-9-16(15)19(20)21/h2-10,18H,1H3/b17-10+
InChIKeyINFTUDOHISOGMZ-LICLKQGHSA-N
MW279.30 g/mol
LogP4.14
Rot. Bonds3

About 1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine

1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine (PubChem CID 3284671) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine
PubChem CID3284671
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine
SMILESCc1[nH]c2ccccc2c1/C=N/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H13N3O2/c1-11-13(12-6-2-3-7-14(12)18-11)10-17-15-8-4-5-9-16(15)19(20)21/h2-10,18H,1H3/b17-10+
InChIKeyINFTUDOHISOGMZ-LICLKQGHSA-N
XLogP4.14
TPSA71.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine 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-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine (CID 3284671) is 1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine is Cc1[nH]c2ccccc2c1/C=N/c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine?
The InChIKey is INFTUDOHISOGMZ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-13(12-6-2-3-7-14(12)18-11)10-17-15-8-4-5-9-16(15)19(20)21/h2-10,18H,1H3/b17-10+.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine?
1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine has a molecular weight of 279.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-N-(2-nitrophenyl)methanimine is sourced from PubChem (CID 3284671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).