N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine

C13H9N3O3 — CID 3921876

IUPACN-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine
SMILESNc1ccc2c(c1)C(=NO)c1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C13H9N3O3/c14-7-1-3-9-10-4-2-8(16(18)19)6-12(10)13(15-17)11(9)5-7/h1-6,17H,14H2
InChIKeyPQVSIUPQJCDZET-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.38
Rot. Bonds1

About N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine

N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine (PubChem CID 3921876) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine
PubChem CID3921876
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC NameN-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine
SMILESNc1ccc2c(c1)C(=NO)c1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C13H9N3O3/c14-7-1-3-9-10-4-2-8(16(18)19)6-12(10)13(15-17)11(9)5-7/h1-6,17H,14H2
InChIKeyPQVSIUPQJCDZET-UHFFFAOYSA-N
XLogP2.38
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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

(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine
CID 5354534
7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine
CID 102316953
methyl 9-hydroxyimino-2,7-dinitrofluorene-4-carboxylate
CID 6796429
4-nitroaniline;perchloric acid
CID 86177986
8-nitrotetracen-2-amine
CID 101022943
3-methylbutyl (9E)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxylate
CID 6871370
2,2,3,3,4,4,5,5,5-nonafluoropentyl 9-hydroxyimino-2,7-dinitrofluorene-4-carboxylate
CID 6836867
(NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 122491074
6-amino-3-methyl-2,3-dihydroinden-1-one;dichlorotin;3-methyl-6-nitro-2,3-dihydroinden-1-one
CID 159960393
sodium;hydride;4-nitroaniline
CID 174897540
methanamine;4-nitroaniline
CID 22708932
(NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine
CID 88795265

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine?
The IUPAC name of N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine (CID 3921876) is N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine.
What is the SMILES notation for N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine?
The canonical SMILES for N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine is Nc1ccc2c(c1)C(=NO)c1cc([N+](=O)[O-])ccc1-2.
What is the InChIKey of N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine?
The InChIKey is PQVSIUPQJCDZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c14-7-1-3-9-10-4-2-8(16(18)19)6-12(10)13(15-17)11(9)5-7/h1-6,17H,14H2.
What are the key properties of N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine?
N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine has a molecular weight of 255.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine is sourced from PubChem (CID 3921876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).