5-nitro-2-phenylindene-1,3-dione

C15H9NO4 — CID 12776975

IUPAC5-nitro-2-phenylindene-1,3-dione
SMILESO=C1c2ccc([N+](=O)[O-])cc2C(=O)C1c1ccccc1
InChIInChI=1S/C15H9NO4/c17-14-11-7-6-10(16(19)20)8-12(11)15(18)13(14)9-4-2-1-3-5-9/h1-8,13H
InChIKeyVZHBATYTBJNLEA-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.76
Rot. Bonds2

About 5-nitro-2-phenylindene-1,3-dione

5-nitro-2-phenylindene-1,3-dione (PubChem CID 12776975) has the molecular formula C15H9NO4 and a molecular weight of 267.24 g/mol. Its IUPAC name is 5-nitro-2-phenylindene-1,3-dione.

Molecular Properties

Compound Name5-nitro-2-phenylindene-1,3-dione
PubChem CID12776975
Molecular FormulaC15H9NO4
Molecular Weight267.24 g/mol
Exact Mass267.05
IUPAC Name5-nitro-2-phenylindene-1,3-dione
SMILESO=C1c2ccc([N+](=O)[O-])cc2C(=O)C1c1ccccc1
InChIInChI=1S/C15H9NO4/c17-14-11-7-6-10(16(19)20)8-12(11)15(18)13(14)9-4-2-1-3-5-9/h1-8,13H
InChIKeyVZHBATYTBJNLEA-UHFFFAOYSA-N
XLogP2.76
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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

(2R)-5-nitro-2-pyridin-2-ylindene-1,3-dione
CID 98115653
5-fluoro-2-phenylindene-1,3-dione
CID 3043662
(2S)-6-nitro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
CID 129390666
1-methyl-6-nitro-3-phenyl-3H-indol-2-one
CID 11334666
(4aS,9aR)-7-nitro-9,10-dioxo-4a,9a-dihydroanthracene-2-carboxylic acid
CID 98055428
5-nitro-2-[2-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 19370940
2-benzhydryl-5-nitroisoindole-1,3-dione
CID 67652048
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
1,3-dibenzyl-6-nitro-2-phenyl-2H-quinazolin-4-one
CID 5030007
2,8-dinitro-6,12-diphenyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine
CID 102254993
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-phenylindene-1,3-dione?
The IUPAC name of 5-nitro-2-phenylindene-1,3-dione (CID 12776975) is 5-nitro-2-phenylindene-1,3-dione.
What is the SMILES notation for 5-nitro-2-phenylindene-1,3-dione?
The canonical SMILES for 5-nitro-2-phenylindene-1,3-dione is O=C1c2ccc([N+](=O)[O-])cc2C(=O)C1c1ccccc1.
What is the InChIKey of 5-nitro-2-phenylindene-1,3-dione?
The InChIKey is VZHBATYTBJNLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4/c17-14-11-7-6-10(16(19)20)8-12(11)15(18)13(14)9-4-2-1-3-5-9/h1-8,13H.
What are the key properties of 5-nitro-2-phenylindene-1,3-dione?
5-nitro-2-phenylindene-1,3-dione has a molecular weight of 267.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-phenylindene-1,3-dione is sourced from PubChem (CID 12776975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).