5-nitro-3,3-diphenyl-1H-indol-2-one

C20H14N2O3 — CID 10568407

IUPAC5-nitro-3,3-diphenyl-1H-indol-2-one
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14N2O3/c23-19-20(14-7-3-1-4-8-14,15-9-5-2-6-10-15)17-13-16(22(24)25)11-12-18(17)21-19/h1-13H,(H,21,23)
InChIKeyXMILWOXSTAWIHI-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.88
Rot. Bonds3

About 5-nitro-3,3-diphenyl-1H-indol-2-one

5-nitro-3,3-diphenyl-1H-indol-2-one (PubChem CID 10568407) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-nitro-3,3-diphenyl-1H-indol-2-one.

Molecular Properties

Compound Name5-nitro-3,3-diphenyl-1H-indol-2-one
PubChem CID10568407
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name5-nitro-3,3-diphenyl-1H-indol-2-one
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14N2O3/c23-19-20(14-7-3-1-4-8-14,15-9-5-2-6-10-15)17-13-16(22(24)25)11-12-18(17)21-19/h1-13H,(H,21,23)
InChIKeyXMILWOXSTAWIHI-UHFFFAOYSA-N
XLogP3.88
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-3,3-diphenyl-1H-indol-2-one?
The IUPAC name of 5-nitro-3,3-diphenyl-1H-indol-2-one (CID 10568407) is 5-nitro-3,3-diphenyl-1H-indol-2-one.
What is the SMILES notation for 5-nitro-3,3-diphenyl-1H-indol-2-one?
The canonical SMILES for 5-nitro-3,3-diphenyl-1H-indol-2-one is O=C1Nc2ccc([N+](=O)[O-])cc2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-nitro-3,3-diphenyl-1H-indol-2-one?
The InChIKey is XMILWOXSTAWIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-19-20(14-7-3-1-4-8-14,15-9-5-2-6-10-15)17-13-16(22(24)25)11-12-18(17)21-19/h1-13H,(H,21,23).
What are the key properties of 5-nitro-3,3-diphenyl-1H-indol-2-one?
5-nitro-3,3-diphenyl-1H-indol-2-one has a molecular weight of 330.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3,3-diphenyl-1H-indol-2-one is sourced from PubChem (CID 10568407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).