N-(2-acetylphenyl)methanimidate

C9H8NO2- — CID 164787794

IUPACN-(2-acetylphenyl)methanimidate
SMILESCC(=O)c1ccccc1/N=C/[O-]
InChIInChI=1S/C9H9NO2/c1-7(12)8-4-2-3-5-9(8)10-6-11/h2-6H,1H3,(H,10,11)/p-1
InChIKeyWAEJUYSDAMMJMI-UHFFFAOYSA-M
MW162.17 g/mol
LogP0.91
Rot. Bonds2

About N-(2-acetylphenyl)methanimidate

N-(2-acetylphenyl)methanimidate (PubChem CID 164787794) has the molecular formula C9H8NO2- and a molecular weight of 162.17 g/mol. Its IUPAC name is N-(2-acetylphenyl)methanimidate.

Molecular Properties

Compound NameN-(2-acetylphenyl)methanimidate
PubChem CID164787794
Molecular FormulaC9H8NO2-
Molecular Weight162.17 g/mol
Exact Mass162.06
IUPAC NameN-(2-acetylphenyl)methanimidate
SMILESCC(=O)c1ccccc1/N=C/[O-]
InChIInChI=1S/C9H9NO2/c1-7(12)8-4-2-3-5-9(8)10-6-11/h2-6H,1H3,(H,10,11)/p-1
InChIKeyWAEJUYSDAMMJMI-UHFFFAOYSA-M
XLogP0.91
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-acetylphenyl)methanimidamide;toluene
CID 142061937
1-(2-acetylphenyl)ethanone;methane
CID 158210616
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
2-acetyl-N-oxidobenzamide
CID 163875491
3-[(2-acetylphenyl)iminomethyl]-2-aminochromen-4-one
CID 46236296
4-(2-acetylphenyl)iminooxolan-2-one
CID 121012457
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
1-(2-hydroxy-3-nitrosophenyl)ethanone
CID 152988503
1-[2-[[(2-acetylphenyl)-dimethylsilyl]-dimethylsilyl]phenyl]ethanone
CID 101417764
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607
ethane;1-(2-methylphenyl)ethanone
CID 91374073

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)methanimidate?
The IUPAC name of N-(2-acetylphenyl)methanimidate (CID 164787794) is N-(2-acetylphenyl)methanimidate.
What is the SMILES notation for N-(2-acetylphenyl)methanimidate?
The canonical SMILES for N-(2-acetylphenyl)methanimidate is CC(=O)c1ccccc1/N=C/[O-].
What is the InChIKey of N-(2-acetylphenyl)methanimidate?
The InChIKey is WAEJUYSDAMMJMI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9NO2/c1-7(12)8-4-2-3-5-9(8)10-6-11/h2-6H,1H3,(H,10,11)/p-1.
What are the key properties of N-(2-acetylphenyl)methanimidate?
N-(2-acetylphenyl)methanimidate has a molecular weight of 162.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)methanimidate is sourced from PubChem (CID 164787794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).