methylimino(oxo)methane;2,3,5-trimethylphenol

C11H15NO2 — CID 175431891

IUPACmethylimino(oxo)methane;2,3,5-trimethylphenol
SMILESCN=C=O.Cc1cc(C)c(C)c(O)c1
InChIInChI=1S/C9H12O.C2H3NO/c1-6-4-7(2)8(3)9(10)5-6;1-3-2-4/h4-5,10H,1-3H3;1H3
InChIKeyUVGLXTLOVSLVAT-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.27
Rot. Bonds

About methylimino(oxo)methane;2,3,5-trimethylphenol

methylimino(oxo)methane;2,3,5-trimethylphenol (PubChem CID 175431891) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methylimino(oxo)methane;2,3,5-trimethylphenol.

Molecular Properties

Compound Namemethylimino(oxo)methane;2,3,5-trimethylphenol
PubChem CID175431891
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethylimino(oxo)methane;2,3,5-trimethylphenol
SMILESCN=C=O.Cc1cc(C)c(C)c(O)c1
InChIInChI=1S/C9H12O.C2H3NO/c1-6-4-7(2)8(3)9(10)5-6;1-3-2-4/h4-5,10H,1-3H3;1H3
InChIKeyUVGLXTLOVSLVAT-UHFFFAOYSA-N
XLogP2.27
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylphenol;2,3,5-trimethylphenol
CID 69435633
2,3,5-trimethylphenol;2,3,6-trimethylphenol
CID 70540570
ethane;3-fluoro-2,5-dimethylphenol
CID 142108626
3,5-dimethylbenzene-1,2-diol;3,4,5-trimethylbenzene-1,2-diol
CID 22492701
ethane;3-hydroxy-2,5-dimethylbenzoic acid
CID 142823767
2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol
CID 117278445
3-(bromomethyl)-2,5-dimethylphenol
CID 130953581
1-(2-hydroxy-4,6-dimethylphenyl)ethanone
CID 139057763
ethane;1-(2,3,5-trimethylphenyl)ethanone
CID 145375991
3-hydroxy-2,5-dimethylbenzamide
CID 119002669
3-hydroxy-4,5-dimethylbenzamide
CID 130882471
3,4,5,7-tetramethylnaphthalen-1-ol
CID 91028901

Frequently Asked Questions

What is the IUPAC name of methylimino(oxo)methane;2,3,5-trimethylphenol?
The IUPAC name of methylimino(oxo)methane;2,3,5-trimethylphenol (CID 175431891) is methylimino(oxo)methane;2,3,5-trimethylphenol.
What is the SMILES notation for methylimino(oxo)methane;2,3,5-trimethylphenol?
The canonical SMILES for methylimino(oxo)methane;2,3,5-trimethylphenol is CN=C=O.Cc1cc(C)c(C)c(O)c1.
What is the InChIKey of methylimino(oxo)methane;2,3,5-trimethylphenol?
The InChIKey is UVGLXTLOVSLVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C2H3NO/c1-6-4-7(2)8(3)9(10)5-6;1-3-2-4/h4-5,10H,1-3H3;1H3.
What are the key properties of methylimino(oxo)methane;2,3,5-trimethylphenol?
methylimino(oxo)methane;2,3,5-trimethylphenol has a molecular weight of 193.25 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino(oxo)methane;2,3,5-trimethylphenol is sourced from PubChem (CID 175431891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).