1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine

C16H19N3O2 — CID 143409770

IUPAC1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine
SMILESC=C(C)n1cccc/c1=N\C.Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H12N2.C7H7NO2/c1-8(2)11-7-5-4-6-9(11)10-3;1-6-4-2-3-5-7(6)8(9)10/h4-7H,1H2,2-3H3;2-5H,1H3/b10-9+;
InChIKeyWPEUOZZOQPXLEF-RRABGKBLSA-N
MW285.35 g/mol
LogP3.41
Rot. Bonds2

About 1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine

1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine (PubChem CID 143409770) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine.

Molecular Properties

Compound Name1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine
PubChem CID143409770
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine
SMILESC=C(C)n1cccc/c1=N\C.Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H12N2.C7H7NO2/c1-8(2)11-7-5-4-6-9(11)10-3;1-6-4-2-3-5-7(6)8(9)10/h4-7H,1H2,2-3H3;2-5H,1H3/b10-9+;
InChIKeyWPEUOZZOQPXLEF-RRABGKBLSA-N
XLogP3.41
TPSA60.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 159952950
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N-bromo-2-methyl-6-nitroaniline
CID 140553007
N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide
CID 124679312
1-chloro-2-nitrobenzene;methanol
CID 157371441
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CID 51328061
1-(4-methyl-3-nitrophenyl)pyrrole
CID 883573
2-methyl-6-nitrobenzenesulfonic acid;hydrochloride
CID 88828256
[(N'-methylcarbamimidoyl)amino]-methylidene-[1-(2-nitrophenyl)pyrrol-2-yl]azanium
CID 91241973
N-(1-benzyl-2-pyridinylidene)-4-methyl-3-nitrobenzamide
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2-methylphenol;nitromethane
CID 91443337

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine?
The IUPAC name of 1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine (CID 143409770) is 1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine.
What is the SMILES notation for 1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine?
The canonical SMILES for 1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine is C=C(C)n1cccc/c1=N\C.Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine?
The InChIKey is WPEUOZZOQPXLEF-RRABGKBLSA-N. The full InChI is InChI=1S/C9H12N2.C7H7NO2/c1-8(2)11-7-5-4-6-9(11)10-3;1-6-4-2-3-5-7(6)8(9)10/h4-7H,1H2,2-3H3;2-5H,1H3/b10-9+;.
What are the key properties of 1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine?
1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine has a molecular weight of 285.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-nitrobenzene;N-methyl-1-prop-1-en-2-ylpyridin-2-imine is sourced from PubChem (CID 143409770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).