4-(2,3-dihydroindol-1-yl)-3-nitroaniline

C14H13N3O2 — CID 82299179

IUPAC4-(2,3-dihydroindol-1-yl)-3-nitroaniline
SMILESNc1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O2/c15-11-5-6-13(14(9-11)17(18)19)16-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8,15H2
InChIKeyMOYPBBJCMJLXJW-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.87
Rot. Bonds2

About 4-(2,3-dihydroindol-1-yl)-3-nitroaniline

4-(2,3-dihydroindol-1-yl)-3-nitroaniline (PubChem CID 82299179) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-3-nitroaniline.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-3-nitroaniline
PubChem CID82299179
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-(2,3-dihydroindol-1-yl)-3-nitroaniline
SMILESNc1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O2/c15-11-5-6-13(14(9-11)17(18)19)16-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8,15H2
InChIKeyMOYPBBJCMJLXJW-UHFFFAOYSA-N
XLogP2.87
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,3-dihydroindol-1-yl)-3-nitroaniline with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-(2,3-dihydroindol-1-yl)-3-nitrobenzoate
CID 23961339
4-(2,3-dihydroindol-1-yl)-N,N-diethyl-3-nitrobenzenesulfonamide
CID 4877058
2-(2,3-dihydroindol-1-yl)-5-nitrobenzaldehyde
CID 43089612
1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydroindole
CID 16553326
1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole
CID 28964405
3-nitro-4-thiomorpholin-4-ylaniline
CID 163212223
[6-(2,3-dihydroindol-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80911841
5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 28795713
6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline
CID 21297656
1-(3-iodo-4-nitrophenyl)-2,3,4,5-tetrahydro-1-benzazepine
CID 106494555
1-[4-(difluoromethylsulfonyl)-2-nitrophenyl]-6-fluoro-2,3-dihydroindole
CID 133300024
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-nitroaniline
CID 26597523

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-3-nitroaniline?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-3-nitroaniline (CID 82299179) is 4-(2,3-dihydroindol-1-yl)-3-nitroaniline.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-3-nitroaniline?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-3-nitroaniline is Nc1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-3-nitroaniline?
The InChIKey is MOYPBBJCMJLXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-11-5-6-13(14(9-11)17(18)19)16-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8,15H2.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-3-nitroaniline?
4-(2,3-dihydroindol-1-yl)-3-nitroaniline has a molecular weight of 255.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-3-nitroaniline is sourced from PubChem (CID 82299179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).