4-amino-5-nitrofluoren-9-one

C13H8N2O3 — CID 5144559

IUPAC4-amino-5-nitrofluoren-9-one
SMILESNc1cccc2c1-c1c(cccc1[N+](=O)[O-])C2=O
InChIInChI=1S/C13H8N2O3/c14-9-5-1-3-7-11(9)12-8(13(7)16)4-2-6-10(12)15(17)18/h1-6H,14H2
InChIKeyBKGQKTNQMGETSA-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.39
Rot. Bonds1

About 4-amino-5-nitrofluoren-9-one

4-amino-5-nitrofluoren-9-one (PubChem CID 5144559) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-amino-5-nitrofluoren-9-one.

Molecular Properties

Compound Name4-amino-5-nitrofluoren-9-one
PubChem CID5144559
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name4-amino-5-nitrofluoren-9-one
SMILESNc1cccc2c1-c1c(cccc1[N+](=O)[O-])C2=O
InChIInChI=1S/C13H8N2O3/c14-9-5-1-3-7-11(9)12-8(13(7)16)4-2-6-10(12)15(17)18/h1-6H,14H2
InChIKeyBKGQKTNQMGETSA-UHFFFAOYSA-N
XLogP2.39
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2,4,7-Trinitrofluoren-9-one
CID 8521
1,2-Bis(3-nitrophenyl)-1,2-ethanedione
CID 101375
1-(4-Methyl-3-nitro-phenyl)-2-phenyl-ethane-1,2-dione
CID 4384851
2,7-Dinitro-9-fluorenone
CID 35842
2,4,5,7-Tetranitro-9-fluorenone
CID 69780
2-Amino-5-nitrobenzophenone
CID 15681
4-Nitroindan-1-one
CID 90563
9,10-Phenanthrenedione, 4-nitro-
CID 94948
5,6-Dinitroacenaphthoquinone
CID 3477013
2-Nitro-9-fluorenone
CID 18356
2-Aminofluorenone
CID 18357
4-Aminofluorenone
CID 20267

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-nitrofluoren-9-one?
The IUPAC name of 4-amino-5-nitrofluoren-9-one (CID 5144559) is 4-amino-5-nitrofluoren-9-one.
What is the SMILES notation for 4-amino-5-nitrofluoren-9-one?
The canonical SMILES for 4-amino-5-nitrofluoren-9-one is Nc1cccc2c1-c1c(cccc1[N+](=O)[O-])C2=O.
What is the InChIKey of 4-amino-5-nitrofluoren-9-one?
The InChIKey is BKGQKTNQMGETSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c14-9-5-1-3-7-11(9)12-8(13(7)16)4-2-6-10(12)15(17)18/h1-6H,14H2.
What are the key properties of 4-amino-5-nitrofluoren-9-one?
4-amino-5-nitrofluoren-9-one has a molecular weight of 240.22 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-nitrofluoren-9-one is sourced from PubChem (CID 5144559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).