N-methyl-1-(2-nitrophenyl)methanimine oxide

C8H8N2O3 — CID 6193987

IUPACN-methyl-1-(2-nitrophenyl)methanimine oxide
SMILESC/[N+]([O-])=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O3/c1-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-6H,1H3/b9-6-
InChIKeyOGMOYZKACAZVKU-TWGQIWQCSA-N
MW180.16 g/mol
LogP1.15
Rot. Bonds2

About N-methyl-1-(2-nitrophenyl)methanimine oxide

N-methyl-1-(2-nitrophenyl)methanimine oxide (PubChem CID 6193987) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is N-methyl-1-(2-nitrophenyl)methanimine oxide.

Molecular Properties

Compound NameN-methyl-1-(2-nitrophenyl)methanimine oxide
PubChem CID6193987
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC NameN-methyl-1-(2-nitrophenyl)methanimine oxide
SMILESC/[N+]([O-])=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O3/c1-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-6H,1H3/b9-6-
InChIKeyOGMOYZKACAZVKU-TWGQIWQCSA-N
XLogP1.15
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-1-(2-nitrophenyl)methanimine oxide
CID 15748949
ethane;2-nitrobenzaldehyde
CID 91029364
sodium 2-nitrobenzaldehyde
CID 23669302
N-methyl-1-(2-methylphenyl)methanimine oxide
CID 135078631
1-nitro-2-(2-nitroethenyl)benzene
CID 59408863
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
ethanol;2-nitrobenzaldehyde
CID 175129011
1-(2-fluorophenyl)-N-methylmethanimine oxide
CID 75089224
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
(2-nitrophenyl)methanimine
CID 19760322
N-methyl-N-[(2-nitrophenyl)methylideneamino]methanamine
CID 78408891
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-nitrophenyl)methanimine oxide?
The IUPAC name of N-methyl-1-(2-nitrophenyl)methanimine oxide (CID 6193987) is N-methyl-1-(2-nitrophenyl)methanimine oxide.
What is the SMILES notation for N-methyl-1-(2-nitrophenyl)methanimine oxide?
The canonical SMILES for N-methyl-1-(2-nitrophenyl)methanimine oxide is C/[N+]([O-])=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-1-(2-nitrophenyl)methanimine oxide?
The InChIKey is OGMOYZKACAZVKU-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-6H,1H3/b9-6-.
What are the key properties of N-methyl-1-(2-nitrophenyl)methanimine oxide?
N-methyl-1-(2-nitrophenyl)methanimine oxide has a molecular weight of 180.16 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-nitrophenyl)methanimine oxide is sourced from PubChem (CID 6193987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).