(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine

C13H8N2O3 — CID 5354534

IUPAC(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine
SMILESO=[N+]([O-])c1ccc2c(c1)/C(=N/O)c1ccccc1-2
InChIInChI=1S/C13H8N2O3/c16-14-13-11-4-2-1-3-9(11)10-6-5-8(15(17)18)7-12(10)13/h1-7,16H/b14-13+
InChIKeyBAMLMBSOLTXBAZ-BUHFOSPRSA-N
MW240.22 g/mol
LogP2.80
Rot. Bonds1

About (NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine

(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine (PubChem CID 5354534) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is (NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine
PubChem CID5354534
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine
SMILESO=[N+]([O-])c1ccc2c(c1)/C(=N/O)c1ccccc1-2
InChIInChI=1S/C13H8N2O3/c16-14-13-11-4-2-1-3-9(11)10-6-5-8(15(17)18)7-12(10)13/h1-7,16H/b14-13+
InChIKeyBAMLMBSOLTXBAZ-BUHFOSPRSA-N
XLogP2.80
TPSA75.73 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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine
CID 3921876
methyl 9-hydroxyimino-2,7-dinitrofluorene-4-carboxylate
CID 6796429
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenol
CID 135497970
(NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine
CID 5381807
4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene
CID 57053685
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
(NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 122491074
3,3'-dinitro-5,5'-spirobi[benzo[b][1]benzosilole]
CID 102189646
3-nitro-9,10-dihydrophenanthrene
CID 614448
3-methylbutyl (9E)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxylate
CID 6871370
(NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine
CID 88795265

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine (CID 5354534) is (NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine is O=[N+]([O-])c1ccc2c(c1)/C(=N/O)c1ccccc1-2.
What is the InChIKey of (NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine?
The InChIKey is BAMLMBSOLTXBAZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H8N2O3/c16-14-13-11-4-2-1-3-9(11)10-6-5-8(15(17)18)7-12(10)13/h1-7,16H/b14-13+.
What are the key properties of (NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine?
(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine has a molecular weight of 240.22 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine is sourced from PubChem (CID 5354534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).