2-[nitro(phenyl)methylidene]-1H-indol-3-one

C15H10N2O3 — CID 4558826

IUPAC2-[nitro(phenyl)methylidene]-1H-indol-3-one
SMILESO=C1C(=C(c2ccccc2)[N+](=O)[O-])Nc2ccccc21
InChIInChI=1S/C15H10N2O3/c18-15-11-8-4-5-9-12(11)16-13(15)14(17(19)20)10-6-2-1-3-7-10/h1-9,16H
InChIKeyOBYVLZBKFJDIEP-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.94
Rot. Bonds2

About 2-[nitro(phenyl)methylidene]-1H-indol-3-one

2-[nitro(phenyl)methylidene]-1H-indol-3-one (PubChem CID 4558826) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[nitro(phenyl)methylidene]-1H-indol-3-one.

Molecular Properties

Compound Name2-[nitro(phenyl)methylidene]-1H-indol-3-one
PubChem CID4558826
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name2-[nitro(phenyl)methylidene]-1H-indol-3-one
SMILESO=C1C(=C(c2ccccc2)[N+](=O)[O-])Nc2ccccc21
InChIInChI=1S/C15H10N2O3/c18-15-11-8-4-5-9-12(11)16-13(15)14(17(19)20)10-6-2-1-3-7-10/h1-9,16H
InChIKeyOBYVLZBKFJDIEP-UHFFFAOYSA-N
XLogP2.94
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'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 2-[nitro(phenyl)methylidene]-1H-indol-3-one?
The IUPAC name of 2-[nitro(phenyl)methylidene]-1H-indol-3-one (CID 4558826) is 2-[nitro(phenyl)methylidene]-1H-indol-3-one.
What is the SMILES notation for 2-[nitro(phenyl)methylidene]-1H-indol-3-one?
The canonical SMILES for 2-[nitro(phenyl)methylidene]-1H-indol-3-one is O=C1C(=C(c2ccccc2)[N+](=O)[O-])Nc2ccccc21.
What is the InChIKey of 2-[nitro(phenyl)methylidene]-1H-indol-3-one?
The InChIKey is OBYVLZBKFJDIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15-11-8-4-5-9-12(11)16-13(15)14(17(19)20)10-6-2-1-3-7-10/h1-9,16H.
What are the key properties of 2-[nitro(phenyl)methylidene]-1H-indol-3-one?
2-[nitro(phenyl)methylidene]-1H-indol-3-one has a molecular weight of 266.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[nitro(phenyl)methylidene]-1H-indol-3-one is sourced from PubChem (CID 4558826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).