2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole

C15H14N2O2 — CID 102141492

IUPAC2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O2/c1-11-10-12-4-2-3-5-15(12)16(11)13-6-8-14(9-7-13)17(18)19/h2-9,11H,10H2,1H3
InChIKeySKADSWOMMCDXAB-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.68
Rot. Bonds2

About 2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole

2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole (PubChem CID 102141492) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
PubChem CID102141492
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O2/c1-11-10-12-4-2-3-5-15(12)16(11)13-6-8-14(9-7-13)17(18)19/h2-9,11H,10H2,1H3
InChIKeySKADSWOMMCDXAB-UHFFFAOYSA-N
XLogP3.68
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole
CID 2319706
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477
2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole
CID 66493749
1-(3-chloro-2-nitrophenyl)-2-methyl-2,3-dihydroindole
CID 104838682
2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2944621
2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194409
1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea
CID 112989569
10-(4-nitrophenyl)-9H-acridine
CID 12969132
4-methyl-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 86166226
1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone
CID 79600921
1-(2-methyl-2,3-dihydroindol-1-yl)-4-(4-nitroanilino)butan-1-one
CID 24669459
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 7852595

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole (CID 102141492) is 2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole is CC1Cc2ccccc2N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole?
The InChIKey is SKADSWOMMCDXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-10-12-4-2-3-5-15(12)16(11)13-6-8-14(9-7-13)17(18)19/h2-9,11H,10H2,1H3.
What are the key properties of 2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole?
2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole has a molecular weight of 254.29 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole is sourced from PubChem (CID 102141492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).