1-methyl-6-nitro-3-phenyl-3H-indol-2-one

C15H12N2O3 — CID 11334666

IUPAC1-methyl-6-nitro-3-phenyl-3H-indol-2-one
SMILESCN1C(=O)C(c2ccccc2)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H12N2O3/c1-16-13-9-11(17(19)20)7-8-12(13)14(15(16)18)10-5-3-2-4-6-10/h2-9,14H,1H3
InChIKeyLJKOHLPQRNLAGG-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.70
Rot. Bonds2

About 1-methyl-6-nitro-3-phenyl-3H-indol-2-one

1-methyl-6-nitro-3-phenyl-3H-indol-2-one (PubChem CID 11334666) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-methyl-6-nitro-3-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-6-nitro-3-phenyl-3H-indol-2-one
PubChem CID11334666
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1-methyl-6-nitro-3-phenyl-3H-indol-2-one
SMILESCN1C(=O)C(c2ccccc2)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H12N2O3/c1-16-13-9-11(17(19)20)7-8-12(13)14(15(16)18)10-5-3-2-4-6-10/h2-9,14H,1H3
InChIKeyLJKOHLPQRNLAGG-UHFFFAOYSA-N
XLogP2.70
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.70
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

5-chloro-1-methyl-3-phenyl-3H-indol-2-one
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5-nitro-2-phenylindene-1,3-dione
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(3S,4S)-4-(3-nitrophenyl)-1,3-diphenylazetidin-2-one
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17-(2-methyl-5-nitrophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3111645
(2S)-1,2,3-trimethyl-5-nitro-2-phenylbenzimidazole
CID 7360618
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4-methyl-6-(2-nitrophenyl)-4-azatricyclo[7.6.0.03,7]pentadeca-1(15),2,7,9,11,13-hexaen-5-one
CID 158544031
1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate
CID 20502779
3-methyl-2-(2-methyl-4-nitrophenyl)imino-5-phenyl-1,3-thiazolidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-nitro-3-phenyl-3H-indol-2-one?
The IUPAC name of 1-methyl-6-nitro-3-phenyl-3H-indol-2-one (CID 11334666) is 1-methyl-6-nitro-3-phenyl-3H-indol-2-one.
What is the SMILES notation for 1-methyl-6-nitro-3-phenyl-3H-indol-2-one?
The canonical SMILES for 1-methyl-6-nitro-3-phenyl-3H-indol-2-one is CN1C(=O)C(c2ccccc2)c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-methyl-6-nitro-3-phenyl-3H-indol-2-one?
The InChIKey is LJKOHLPQRNLAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-16-13-9-11(17(19)20)7-8-12(13)14(15(16)18)10-5-3-2-4-6-10/h2-9,14H,1H3.
What are the key properties of 1-methyl-6-nitro-3-phenyl-3H-indol-2-one?
1-methyl-6-nitro-3-phenyl-3H-indol-2-one has a molecular weight of 268.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-nitro-3-phenyl-3H-indol-2-one is sourced from PubChem (CID 11334666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).