3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one

C13H6N4O9 — CID 20734342

IUPAC3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one
SMILESO=C1c2c(cc(NOO)cc2[N+](=O)[O-])-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21
InChIInChI=1S/C13H6N4O9/c18-13-11-7(1-5(14-26-25)2-9(11)16(21)22)8-3-6(15(19)20)4-10(12(8)13)17(23)24/h1-4,14,25H
InChIKeyFEBHHEMBQHBLIS-UHFFFAOYSA-N
MW362.21 g/mol
LogP2.44
Rot. Bonds5

About 3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one

3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one (PubChem CID 20734342) has the molecular formula C13H6N4O9 and a molecular weight of 362.21 g/mol. Its IUPAC name is 3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one.

Molecular Properties

Compound Name3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one
PubChem CID20734342
Molecular FormulaC13H6N4O9
Molecular Weight362.21 g/mol
Exact Mass362.01
IUPAC Name3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one
SMILESO=C1c2c(cc(NOO)cc2[N+](=O)[O-])-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21
InChIInChI=1S/C13H6N4O9/c18-13-11-7(1-5(14-26-25)2-9(11)16(21)22)8-3-6(15(19)20)4-10(12(8)13)17(23)24/h1-4,14,25H
InChIKeyFEBHHEMBQHBLIS-UHFFFAOYSA-N
XLogP2.44
TPSA187.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,7-trinitrofluoren-9-one
CID 3117442
(4,5,7-trinitro-9-oxofluoren-2-yl) hydrogen carbonate
CID 88625118
2,4,5,7-tetranitrofluoren-9-one;2-[(2,4,5,7-tetranitrofluoren-9-ylidene)amino]oxypropanoic acid
CID 158805147
2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide
CID 2775590
(5,7-dinitro-9-oxofluorene-1-carbonyl)imino-iminoazanium
CID 6332668
1-chloro-4,5,7-trinitro-9-oxofluorene-2-carboxylic acid
CID 57209242
1,3,7-trinitrodibenzothiophene 5-oxide
CID 139879502
9-methyl-2,4,5,7-tetranitro-9H-fluorene
CID 88919207
1,5-bis(2,4,6-trinitrophenyl)naphthalene
CID 102507077
cobalt;2,4,6-trinitrophenol
CID 88826081
thorium;2,4,6-trinitrophenol
CID 88723018
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734

Frequently Asked Questions

What is the IUPAC name of 3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one?
The IUPAC name of 3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one (CID 20734342) is 3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one.
What is the SMILES notation for 3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one?
The canonical SMILES for 3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one is O=C1c2c(cc(NOO)cc2[N+](=O)[O-])-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21.
What is the InChIKey of 3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one?
The InChIKey is FEBHHEMBQHBLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6N4O9/c18-13-11-7(1-5(14-26-25)2-9(11)16(21)22)8-3-6(15(19)20)4-10(12(8)13)17(23)24/h1-4,14,25H.
What are the key properties of 3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one?
3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one has a molecular weight of 362.21 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroperoxyamino)-1,6,8-trinitrofluoren-9-one is sourced from PubChem (CID 20734342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).