(4-acetylphenyl)methylimino-methylideneazanium

C10H11N2O+ — CID 143608157

IUPAC(4-acetylphenyl)methylimino-methylideneazanium
SMILESC=[N+]=NCc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H11N2O/c1-8(13)10-5-3-9(4-6-10)7-12-11-2/h3-6H,2,7H2,1H3/q+1
InChIKeyBOLJMUOVQBUHLW-UHFFFAOYSA-N
MW175.21 g/mol
LogP1.75
Rot. Bonds3

About (4-acetylphenyl)methylimino-methylideneazanium

(4-acetylphenyl)methylimino-methylideneazanium (PubChem CID 143608157) has the molecular formula C10H11N2O+ and a molecular weight of 175.21 g/mol. Its IUPAC name is (4-acetylphenyl)methylimino-methylideneazanium.

Molecular Properties

Compound Name(4-acetylphenyl)methylimino-methylideneazanium
PubChem CID143608157
Molecular FormulaC10H11N2O+
Molecular Weight175.21 g/mol
Exact Mass175.09
IUPAC Name(4-acetylphenyl)methylimino-methylideneazanium
SMILESC=[N+]=NCc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H11N2O/c1-8(13)10-5-3-9(4-6-10)7-12-11-2/h3-6H,2,7H2,1H3/q+1
InChIKeyBOLJMUOVQBUHLW-UHFFFAOYSA-N
XLogP1.75
TPSA43.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl)methylimino-methylideneazanium?
The IUPAC name of (4-acetylphenyl)methylimino-methylideneazanium (CID 143608157) is (4-acetylphenyl)methylimino-methylideneazanium.
What is the SMILES notation for (4-acetylphenyl)methylimino-methylideneazanium?
The canonical SMILES for (4-acetylphenyl)methylimino-methylideneazanium is C=[N+]=NCc1ccc(C(C)=O)cc1.
What is the InChIKey of (4-acetylphenyl)methylimino-methylideneazanium?
The InChIKey is BOLJMUOVQBUHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O/c1-8(13)10-5-3-9(4-6-10)7-12-11-2/h3-6H,2,7H2,1H3/q+1.
What are the key properties of (4-acetylphenyl)methylimino-methylideneazanium?
(4-acetylphenyl)methylimino-methylideneazanium has a molecular weight of 175.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl)methylimino-methylideneazanium is sourced from PubChem (CID 143608157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).