3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one

C15H11N3O3 — CID 135519848

IUPAC3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one
SMILESCc1cc([N+](=O)[O-])ccc1/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C15H11N3O3/c1-9-8-10(18(20)21)6-7-12(9)16-14-11-4-2-3-5-13(11)17-15(14)19/h2-8H,1H3,(H,16,17,19)
InChIKeyJQTBEHBPXRDLFX-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.98
Rot. Bonds2

About 3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one

3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one (PubChem CID 135519848) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one
PubChem CID135519848
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one
SMILESCc1cc([N+](=O)[O-])ccc1/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C15H11N3O3/c1-9-8-10(18(20)21)6-7-12(9)16-14-11-4-2-3-5-13(11)17-15(14)19/h2-8H,1H3,(H,16,17,19)
InChIKeyJQTBEHBPXRDLFX-UHFFFAOYSA-N
XLogP2.98
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one
CID 135416717
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135603924
3-(2,4-difluorophenyl)imino-1H-indol-2-one
CID 135473672
3-nitro-5,12-dihydrobenzo[c][1,6]benzodiazocine-6,11-dione
CID 3128964
3-(4-tert-butylphenyl)imino-5-nitro-1H-indol-2-one
CID 135799773
[(2-oxo-1H-indol-3-ylidene)amino] 3-nitrobenzoate
CID 136691655
3-[3-(hydroxymethyl)phenyl]imino-5-nitro-1H-indol-2-one
CID 135472416
3-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]imino-1H-indol-2-one
CID 135399034
3-(4-bromo-2-methylphenyl)imino-7-methyl-1H-indol-2-one
CID 135559452
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 137165901
methane;5-nitro-1H-indole-2,3-dione
CID 174942814

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one (CID 135519848) is 3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one is Cc1cc([N+](=O)[O-])ccc1/N=C1\C(=O)Nc2ccccc21.
What is the InChIKey of 3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one?
The InChIKey is JQTBEHBPXRDLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-9-8-10(18(20)21)6-7-12(9)16-14-11-4-2-3-5-13(11)17-15(14)19/h2-8H,1H3,(H,16,17,19).
What are the key properties of 3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one?
3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one has a molecular weight of 281.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135519848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).