1-[(2-nitrophenyl)methyl]indole-2,3-dione

C15H10N2O4 — CID 2208775

IUPAC1-[(2-nitrophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C15H10N2O4/c18-14-11-6-2-4-8-13(11)16(15(14)19)9-10-5-1-3-7-12(10)17(20)21/h1-8H,9H2
InChIKeyDOYKNAFJCIFMHL-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.32
Rot. Bonds3

About 1-[(2-nitrophenyl)methyl]indole-2,3-dione

1-[(2-nitrophenyl)methyl]indole-2,3-dione (PubChem CID 2208775) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is 1-[(2-nitrophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(2-nitrophenyl)methyl]indole-2,3-dione
PubChem CID2208775
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Name1-[(2-nitrophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C15H10N2O4/c18-14-11-6-2-4-8-13(11)16(15(14)19)9-10-5-1-3-7-12(10)17(20)21/h1-8H,9H2
InChIKeyDOYKNAFJCIFMHL-UHFFFAOYSA-N
XLogP2.32
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

1-Phenylisatin
CID 12884
1-Methylisatin
CID 16358
5-Nitroisatin
CID 4669250
1-Benzylisatin
CID 264734
1-hexadecyl-1H-indole-2,3-dione
CID 3772674
1-benzyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione
CID 10826725
Indole-2,3-dione, 1-(hydroxymethyl)-
CID 39834
2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetic acid
CID 43402
8-Nitroindolo[2,1-b]quinazoline-6,12-dione
CID 478573
1-Piperidin-1-ylmethyl-1H-indole-2,3-dione
CID 262695
1-Methyl-5-nitroindoline-2,3-dione
CID 515950
1-Phenethylindoline-2,3-dione
CID 1894707

Frequently Asked Questions

What is the IUPAC name of 1-[(2-nitrophenyl)methyl]indole-2,3-dione?
The IUPAC name of 1-[(2-nitrophenyl)methyl]indole-2,3-dione (CID 2208775) is 1-[(2-nitrophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 1-[(2-nitrophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 1-[(2-nitrophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccccc2[N+](=O)[O-])c2ccccc21.
What is the InChIKey of 1-[(2-nitrophenyl)methyl]indole-2,3-dione?
The InChIKey is DOYKNAFJCIFMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-14-11-6-2-4-8-13(11)16(15(14)19)9-10-5-1-3-7-12(10)17(20)21/h1-8H,9H2.
What are the key properties of 1-[(2-nitrophenyl)methyl]indole-2,3-dione?
1-[(2-nitrophenyl)methyl]indole-2,3-dione has a molecular weight of 282.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-nitrophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 2208775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).