(1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate

C11H16N2O — CID 134995905

IUPAC(1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate
SMILESC[N+](C)(C)/N=C(\[O-])Cc1ccccc1
InChIInChI=1S/C11H16N2O/c1-13(2,3)12-11(14)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyHWIIIERVSTUSTC-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.61
Rot. Bonds3

About (1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate

(1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate (PubChem CID 134995905) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate.

Molecular Properties

Compound Name(1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate
PubChem CID134995905
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate
SMILESC[N+](C)(C)/N=C(\[O-])Cc1ccccc1
InChIInChI=1S/C11H16N2O/c1-13(2,3)12-11(14)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyHWIIIERVSTUSTC-UHFFFAOYSA-N
XLogP0.61
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate?
The IUPAC name of (1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate (CID 134995905) is (1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate.
What is the SMILES notation for (1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate?
The canonical SMILES for (1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate is C[N+](C)(C)/N=C(\[O-])Cc1ccccc1.
What is the InChIKey of (1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate?
The InChIKey is HWIIIERVSTUSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13(2,3)12-11(14)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of (1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate?
(1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate has a molecular weight of 192.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-phenyl-N-(trimethylazaniumyl)ethanimidate is sourced from PubChem (CID 134995905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).