4-(3-nitronaphthalen-2-yl)-1H-indole

C18H12N2O2 — CID 142729171

IUPAC4-(3-nitronaphthalen-2-yl)-1H-indole
SMILESO=[N+]([O-])c1cc2ccccc2cc1-c1cccc2[nH]ccc12
InChIInChI=1S/C18H12N2O2/c21-20(22)18-11-13-5-2-1-4-12(13)10-16(18)14-6-3-7-17-15(14)8-9-19-17/h1-11,19H
InChIKeyCJUMMTOUOYLOFC-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.90
Rot. Bonds2

About 4-(3-nitronaphthalen-2-yl)-1H-indole

4-(3-nitronaphthalen-2-yl)-1H-indole (PubChem CID 142729171) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(3-nitronaphthalen-2-yl)-1H-indole.

Molecular Properties

Compound Name4-(3-nitronaphthalen-2-yl)-1H-indole
PubChem CID142729171
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name4-(3-nitronaphthalen-2-yl)-1H-indole
SMILESO=[N+]([O-])c1cc2ccccc2cc1-c1cccc2[nH]ccc12
InChIInChI=1S/C18H12N2O2/c21-20(22)18-11-13-5-2-1-4-12(13)10-16(18)14-6-3-7-17-15(14)8-9-19-17/h1-11,19H
InChIKeyCJUMMTOUOYLOFC-UHFFFAOYSA-N
XLogP4.90
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-nitronaphthalen-2-yl)-1H-indole 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 4-(3-nitronaphthalen-2-yl)-1H-indole?
The IUPAC name of 4-(3-nitronaphthalen-2-yl)-1H-indole (CID 142729171) is 4-(3-nitronaphthalen-2-yl)-1H-indole.
What is the SMILES notation for 4-(3-nitronaphthalen-2-yl)-1H-indole?
The canonical SMILES for 4-(3-nitronaphthalen-2-yl)-1H-indole is O=[N+]([O-])c1cc2ccccc2cc1-c1cccc2[nH]ccc12.
What is the InChIKey of 4-(3-nitronaphthalen-2-yl)-1H-indole?
The InChIKey is CJUMMTOUOYLOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-20(22)18-11-13-5-2-1-4-12(13)10-16(18)14-6-3-7-17-15(14)8-9-19-17/h1-11,19H.
What are the key properties of 4-(3-nitronaphthalen-2-yl)-1H-indole?
4-(3-nitronaphthalen-2-yl)-1H-indole has a molecular weight of 288.31 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitronaphthalen-2-yl)-1H-indole is sourced from PubChem (CID 142729171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).