3-methyl-2-(4-nitrophenyl)-1H-indole

C15H12N2O2 — CID 132544245

IUPAC3-methyl-2-(4-nitrophenyl)-1H-indole
SMILESCc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12
InChIInChI=1S/C15H12N2O2/c1-10-13-4-2-3-5-14(13)16-15(10)11-6-8-12(9-7-11)17(18)19/h2-9,16H,1H3
InChIKeyIHJSRUVTRSWBAB-UHFFFAOYSA-N
MW252.27 g/mol
LogP4.05
Rot. Bonds2

About 3-methyl-2-(4-nitrophenyl)-1H-indole

3-methyl-2-(4-nitrophenyl)-1H-indole (PubChem CID 132544245) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-methyl-2-(4-nitrophenyl)-1H-indole.

Molecular Properties

Compound Name3-methyl-2-(4-nitrophenyl)-1H-indole
PubChem CID132544245
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-methyl-2-(4-nitrophenyl)-1H-indole
SMILESCc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12
InChIInChI=1S/C15H12N2O2/c1-10-13-4-2-3-5-14(13)16-15(10)11-6-8-12(9-7-11)17(18)19/h2-9,16H,1H3
InChIKeyIHJSRUVTRSWBAB-UHFFFAOYSA-N
XLogP4.05
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 54.05
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'}

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Related Compounds

2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one
CID 177450866
2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
CID 25108097
3-methyl-2-[2-(4-nitrophenyl)ethyl]-1H-quinolin-4-one
CID 58625502
1-(4-nitrophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 11426319
7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole
CID 56641148
3-(4-nitrophenyl)-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene-5-thione
CID 141497770
5,6,11,12-tetrakis(4-nitrophenyl)tetracene
CID 71427655
methanol;bis(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole)
CID 139060721
N-[2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-nitrobenzamide
CID 5048644
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 3106829
methyl [2-(4-nitrophenyl)-3-phenyl-1H-indol-5-yl] carbonate
CID 45380928

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-nitrophenyl)-1H-indole?
The IUPAC name of 3-methyl-2-(4-nitrophenyl)-1H-indole (CID 132544245) is 3-methyl-2-(4-nitrophenyl)-1H-indole.
What is the SMILES notation for 3-methyl-2-(4-nitrophenyl)-1H-indole?
The canonical SMILES for 3-methyl-2-(4-nitrophenyl)-1H-indole is Cc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12.
What is the InChIKey of 3-methyl-2-(4-nitrophenyl)-1H-indole?
The InChIKey is IHJSRUVTRSWBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-13-4-2-3-5-14(13)16-15(10)11-6-8-12(9-7-11)17(18)19/h2-9,16H,1H3.
What are the key properties of 3-methyl-2-(4-nitrophenyl)-1H-indole?
3-methyl-2-(4-nitrophenyl)-1H-indole has a molecular weight of 252.27 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-nitrophenyl)-1H-indole is sourced from PubChem (CID 132544245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).