[(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium

C11H17N2O+ — CID 6294943

IUPAC[(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium
SMILESC[NH+](C)CC/C(=N\O)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-13(2)9-8-11(12-14)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3/p+1/b12-11+
InChIKeyAUKXQJSFWYBVFB-VAWYXSNFSA-O
MW193.27 g/mol
LogP0.40
Rot. Bonds4

About [(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium

[(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium (PubChem CID 6294943) has the molecular formula C11H17N2O+ and a molecular weight of 193.27 g/mol. Its IUPAC name is [(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium.

Molecular Properties

Compound Name[(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium
PubChem CID6294943
Molecular FormulaC11H17N2O+
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name[(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium
SMILESC[NH+](C)CC/C(=N\O)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-13(2)9-8-11(12-14)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3/p+1/b12-11+
InChIKeyAUKXQJSFWYBVFB-VAWYXSNFSA-O
XLogP0.40
TPSA37.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 [(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium?
The IUPAC name of [(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium (CID 6294943) is [(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium.
What is the SMILES notation for [(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium?
The canonical SMILES for [(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium is C[NH+](C)CC/C(=N\O)c1ccccc1.
What is the InChIKey of [(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium?
The InChIKey is AUKXQJSFWYBVFB-VAWYXSNFSA-O. The full InChI is InChI=1S/C11H16N2O/c1-13(2)9-8-11(12-14)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3/p+1/b12-11+.
What are the key properties of [(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium?
[(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium has a molecular weight of 193.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-hydroxyimino-3-phenylpropyl]-dimethylazanium is sourced from PubChem (CID 6294943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).