N-benzylethanimine oxide

C9H11NO — CID 10012072

IUPACN-benzylethanimine oxide
SMILESC/C=[N+](/[O-])Cc1ccccc1
InChIInChI=1S/C9H11NO/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7H,8H2,1H3/b10-2+
InChIKeyCANUCYHLTVBHJK-WTDSWWLTSA-N
MW149.19 g/mol
LogP1.79
Rot. Bonds2

About N-benzylethanimine oxide

N-benzylethanimine oxide (PubChem CID 10012072) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-benzylethanimine oxide.

Molecular Properties

Compound NameN-benzylethanimine oxide
PubChem CID10012072
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-benzylethanimine oxide
SMILESC/C=[N+](/[O-])Cc1ccccc1
InChIInChI=1S/C9H11NO/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7H,8H2,1H3/b10-2+
InChIKeyCANUCYHLTVBHJK-WTDSWWLTSA-N
XLogP1.79
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-benzylethanimine oxide?
The IUPAC name of N-benzylethanimine oxide (CID 10012072) is N-benzylethanimine oxide.
What is the SMILES notation for N-benzylethanimine oxide?
The canonical SMILES for N-benzylethanimine oxide is C/C=[N+](/[O-])Cc1ccccc1.
What is the InChIKey of N-benzylethanimine oxide?
The InChIKey is CANUCYHLTVBHJK-WTDSWWLTSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7H,8H2,1H3/b10-2+.
What are the key properties of N-benzylethanimine oxide?
N-benzylethanimine oxide has a molecular weight of 149.19 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylethanimine oxide is sourced from PubChem (CID 10012072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).