N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide

C11H14N4O — CID 72520681

IUPACN'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide
SMILESC=NN(C)/C=N/c1ccccc1C(C)=NO
InChIInChI=1S/C11H14N4O/c1-9(14-16)10-6-4-5-7-11(10)13-8-15(3)12-2/h4-8,16H,2H2,1,3H3/b13-8+,14-9?
InChIKeyJFDHZKJWMIJASF-UVGNWNSDSA-N
MW218.26 g/mol
LogP2.09
Rot. Bonds4

About N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide

N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide (PubChem CID 72520681) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide.

Molecular Properties

Compound NameN'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide
PubChem CID72520681
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide
SMILESC=NN(C)/C=N/c1ccccc1C(C)=NO
InChIInChI=1S/C11H14N4O/c1-9(14-16)10-6-4-5-7-11(10)13-8-15(3)12-2/h4-8,16H,2H2,1,3H3/b13-8+,14-9?
InChIKeyJFDHZKJWMIJASF-UVGNWNSDSA-N
XLogP2.09
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide?
The IUPAC name of N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide (CID 72520681) is N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide.
What is the SMILES notation for N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide?
The canonical SMILES for N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide is C=NN(C)/C=N/c1ccccc1C(C)=NO.
What is the InChIKey of N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide?
The InChIKey is JFDHZKJWMIJASF-UVGNWNSDSA-N. The full InChI is InChI=1S/C11H14N4O/c1-9(14-16)10-6-4-5-7-11(10)13-8-15(3)12-2/h4-8,16H,2H2,1,3H3/b13-8+,14-9?.
What are the key properties of N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide?
N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide has a molecular weight of 218.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-methyl-N-(methylideneamino)methanimidamide is sourced from PubChem (CID 72520681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).