2-nitrofluoren-9-one

C13H7NO3 — CID 18356

IUPAC2-nitrofluoren-9-one
SMILESO=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C13H7NO3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H
InChIKeyAJEAHBZZHSLIQP-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.81
Rot. Bonds1

About 2-nitrofluoren-9-one

2-nitrofluoren-9-one (PubChem CID 18356) has the molecular formula C13H7NO3 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-nitrofluoren-9-one.

Molecular Properties

Compound Name2-nitrofluoren-9-one
PubChem CID18356
Molecular FormulaC13H7NO3
Molecular Weight225.20 g/mol
Exact Mass225.04
IUPAC Name2-nitrofluoren-9-one
SMILESO=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C13H7NO3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H
InChIKeyAJEAHBZZHSLIQP-UHFFFAOYSA-N
XLogP2.81
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.81
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

4-Nitrochalcone
CID 5377323
2,4,7-Trinitrofluoren-9-one
CID 8521
m-Nitroacetophenone
CID 8494
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CID 5712222
1,2-Bis(3-nitrophenyl)-1,2-ethanedione
CID 101375
2-Propen-1-one, 3-(3-nitrophenyl)-1-phenyl-
CID 5369664
2,7-Dinitro-9-fluorenone
CID 35842
2,4,5,7-Tetranitro-9-fluorenone
CID 69780
4-Nitrobenzil
CID 283893
1,2-Bis(4-nitrophenyl)ethane-1,2-dione
CID 1812008
7-Nitro-1-tetralone
CID 38445
4-Nitroindan-1-one
CID 90563

Frequently Asked Questions

What is the IUPAC name of 2-nitrofluoren-9-one?
The IUPAC name of 2-nitrofluoren-9-one (CID 18356) is 2-nitrofluoren-9-one.
What is the SMILES notation for 2-nitrofluoren-9-one?
The canonical SMILES for 2-nitrofluoren-9-one is O=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 2-nitrofluoren-9-one?
The InChIKey is AJEAHBZZHSLIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H.
What are the key properties of 2-nitrofluoren-9-one?
2-nitrofluoren-9-one has a molecular weight of 225.20 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrofluoren-9-one is sourced from PubChem (CID 18356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).