N-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide

C11H9N3O3 — CID 20763575

IUPACN-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide
SMILESO=[N+]([O-])c1ccc(/N=C/NO)c2ccccc12
InChIInChI=1S/C11H9N3O3/c15-13-7-12-10-5-6-11(14(16)17)9-4-2-1-3-8(9)10/h1-7,15H,(H,12,13)
InChIKeyGTPHEMWRNMCHNF-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.39
Rot. Bonds3

About N-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide

N-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide (PubChem CID 20763575) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is N-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide
PubChem CID20763575
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC NameN-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide
SMILESO=[N+]([O-])c1ccc(/N=C/NO)c2ccccc12
InChIInChI=1S/C11H9N3O3/c15-13-7-12-10-5-6-11(14(16)17)9-4-2-1-3-8(9)10/h1-7,15H,(H,12,13)
InChIKeyGTPHEMWRNMCHNF-UHFFFAOYSA-N
XLogP2.39
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide?
The IUPAC name of N-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide (CID 20763575) is N-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide.
What is the SMILES notation for N-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide?
The canonical SMILES for N-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide is O=[N+]([O-])c1ccc(/N=C/NO)c2ccccc12.
What is the InChIKey of N-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide?
The InChIKey is GTPHEMWRNMCHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-13-7-12-10-5-6-11(14(16)17)9-4-2-1-3-8(9)10/h1-7,15H,(H,12,13).
What are the key properties of N-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide?
N-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide has a molecular weight of 231.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(4-nitronaphthalen-1-yl)methanimidamide is sourced from PubChem (CID 20763575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).