ethyl-oxido-(1-phenylethylimino)azanium

C10H14N2O — CID 13172939

IUPACethyl-oxido-(1-phenylethylimino)azanium
SMILESCC/[N+]([O-])=N/C(C)c1ccccc1
InChIInChI=1S/C10H14N2O/c1-3-12(13)11-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b12-11-
InChIKeyOOSUSOUGVWKXKV-QXMHVHEDSA-N
MW178.24 g/mol
LogP2.73
Rot. Bonds3

About ethyl-oxido-(1-phenylethylimino)azanium

ethyl-oxido-(1-phenylethylimino)azanium (PubChem CID 13172939) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is ethyl-oxido-(1-phenylethylimino)azanium.

Molecular Properties

Compound Nameethyl-oxido-(1-phenylethylimino)azanium
PubChem CID13172939
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Nameethyl-oxido-(1-phenylethylimino)azanium
SMILESCC/[N+]([O-])=N/C(C)c1ccccc1
InChIInChI=1S/C10H14N2O/c1-3-12(13)11-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b12-11-
InChIKeyOOSUSOUGVWKXKV-QXMHVHEDSA-N
XLogP2.73
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.73
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-oxido-(1-phenylethylimino)azanium?
The IUPAC name of ethyl-oxido-(1-phenylethylimino)azanium (CID 13172939) is ethyl-oxido-(1-phenylethylimino)azanium.
What is the SMILES notation for ethyl-oxido-(1-phenylethylimino)azanium?
The canonical SMILES for ethyl-oxido-(1-phenylethylimino)azanium is CC/[N+]([O-])=N/C(C)c1ccccc1.
What is the InChIKey of ethyl-oxido-(1-phenylethylimino)azanium?
The InChIKey is OOSUSOUGVWKXKV-QXMHVHEDSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-12(13)11-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/b12-11-.
What are the key properties of ethyl-oxido-(1-phenylethylimino)azanium?
ethyl-oxido-(1-phenylethylimino)azanium has a molecular weight of 178.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-oxido-(1-phenylethylimino)azanium is sourced from PubChem (CID 13172939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).