N-hydroxy-1-(3-nitrophenyl)methanimine oxide

C7H6N2O4 — CID 12527293

IUPACN-hydroxy-1-(3-nitrophenyl)methanimine oxide
SMILESO=[N+]([O-])c1cccc(/C=[N+](\[O-])O)c1
InChIInChI=1S/C7H6N2O4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-5H,(H,10,11)
InChIKeyVYSTXLIRZWEOGS-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.91
Rot. Bonds2

About N-hydroxy-1-(3-nitrophenyl)methanimine oxide

N-hydroxy-1-(3-nitrophenyl)methanimine oxide (PubChem CID 12527293) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is N-hydroxy-1-(3-nitrophenyl)methanimine oxide.

Molecular Properties

Compound NameN-hydroxy-1-(3-nitrophenyl)methanimine oxide
PubChem CID12527293
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC NameN-hydroxy-1-(3-nitrophenyl)methanimine oxide
SMILESO=[N+]([O-])c1cccc(/C=[N+](\[O-])O)c1
InChIInChI=1S/C7H6N2O4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-5H,(H,10,11)
InChIKeyVYSTXLIRZWEOGS-UHFFFAOYSA-N
XLogP0.91
TPSA89.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.91
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-methyl-1-(3-nitrophenyl)methanimine oxide
CID 4640980
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
CID 175409039
CID 175409039
N-(1-hydroxyimino-2-methylpropan-2-yl)-1-(3-nitrophenyl)methanimine oxide
CID 3351502
3-(3-nitrophenyl)prop-2-en-1-ol
CID 53401716
1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene
CID 11822354
N-benzyl-1-(3-nitrophenyl)methanimine oxide
CID 177424048
3-(3-nitrophenyl)prop-2-enamide
CID 692292
4-hydroxybenzaldehyde;3-nitrobenzaldehyde
CID 157352105
1-[(E)-1,2-difluoroethenyl]-3-nitrobenzene
CID 11788684
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
(Z)-2-methyl-3-(3-nitrophenyl)prop-2-enenitrile
CID 102180856

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(3-nitrophenyl)methanimine oxide?
The IUPAC name of N-hydroxy-1-(3-nitrophenyl)methanimine oxide (CID 12527293) is N-hydroxy-1-(3-nitrophenyl)methanimine oxide.
What is the SMILES notation for N-hydroxy-1-(3-nitrophenyl)methanimine oxide?
The canonical SMILES for N-hydroxy-1-(3-nitrophenyl)methanimine oxide is O=[N+]([O-])c1cccc(/C=[N+](\[O-])O)c1.
What is the InChIKey of N-hydroxy-1-(3-nitrophenyl)methanimine oxide?
The InChIKey is VYSTXLIRZWEOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-5H,(H,10,11).
What are the key properties of N-hydroxy-1-(3-nitrophenyl)methanimine oxide?
N-hydroxy-1-(3-nitrophenyl)methanimine oxide has a molecular weight of 182.14 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(3-nitrophenyl)methanimine oxide is sourced from PubChem (CID 12527293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).