[chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium

C11H15ClN3+ — CID 10381571

IUPAC[chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium
SMILESC/N=C(\NC(Cl)=[N+](C)C)c1ccccc1
InChIInChI=1S/C11H14ClN3/c1-13-10(14-11(12)15(2)3)9-7-5-4-6-8-9/h4-8H,1-3H3/p+1/b13-10-
InChIKeyLCQRKVNZXMLFDD-RAXLEYEMSA-O
MW224.72 g/mol
LogP1.52
Rot. Bonds1

About [chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium

[chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium (PubChem CID 10381571) has the molecular formula C11H15ClN3+ and a molecular weight of 224.72 g/mol. Its IUPAC name is [chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium.

Molecular Properties

Compound Name[chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium
PubChem CID10381571
Molecular FormulaC11H15ClN3+
Molecular Weight224.72 g/mol
Exact Mass224.09
IUPAC Name[chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium
SMILESC/N=C(\NC(Cl)=[N+](C)C)c1ccccc1
InChIInChI=1S/C11H14ClN3/c1-13-10(14-11(12)15(2)3)9-7-5-4-6-8-9/h4-8H,1-3H3/p+1/b13-10-
InChIKeyLCQRKVNZXMLFDD-RAXLEYEMSA-O
XLogP1.52
TPSA27.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium?
The IUPAC name of [chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium (CID 10381571) is [chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium.
What is the SMILES notation for [chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium?
The canonical SMILES for [chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium is C/N=C(\NC(Cl)=[N+](C)C)c1ccccc1.
What is the InChIKey of [chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium?
The InChIKey is LCQRKVNZXMLFDD-RAXLEYEMSA-O. The full InChI is InChI=1S/C11H14ClN3/c1-13-10(14-11(12)15(2)3)9-7-5-4-6-8-9/h4-8H,1-3H3/p+1/b13-10-.
What are the key properties of [chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium?
[chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium has a molecular weight of 224.72 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium is sourced from PubChem (CID 10381571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).