(E)-N-benzyloct-2-en-1-imine oxide

C15H21NO — CID 170783246

IUPAC(E)-N-benzyloct-2-en-1-imine oxide
SMILESCCCCC/C=C/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-2-3-4-5-6-10-13-16(17)14-15-11-8-7-9-12-15/h6-13H,2-5,14H2,1H3/b10-6+,16-13-
InChIKeyBAIMNVZVSNCGMX-OUYFPJISSA-N
MW231.34 g/mol
LogP3.90
Rot. Bonds7

About (E)-N-benzyloct-2-en-1-imine oxide

(E)-N-benzyloct-2-en-1-imine oxide (PubChem CID 170783246) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (E)-N-benzyloct-2-en-1-imine oxide.

Molecular Properties

Compound Name(E)-N-benzyloct-2-en-1-imine oxide
PubChem CID170783246
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(E)-N-benzyloct-2-en-1-imine oxide
SMILESCCCCC/C=C/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-2-3-4-5-6-10-13-16(17)14-15-11-8-7-9-12-15/h6-13H,2-5,14H2,1H3/b10-6+,16-13-
InChIKeyBAIMNVZVSNCGMX-OUYFPJISSA-N
XLogP3.90
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (E)-N-benzyloct-2-en-1-imine oxide?
The IUPAC name of (E)-N-benzyloct-2-en-1-imine oxide (CID 170783246) is (E)-N-benzyloct-2-en-1-imine oxide.
What is the SMILES notation for (E)-N-benzyloct-2-en-1-imine oxide?
The canonical SMILES for (E)-N-benzyloct-2-en-1-imine oxide is CCCCC/C=C/C=[N+](\[O-])Cc1ccccc1.
What is the InChIKey of (E)-N-benzyloct-2-en-1-imine oxide?
The InChIKey is BAIMNVZVSNCGMX-OUYFPJISSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-4-5-6-10-13-16(17)14-15-11-8-7-9-12-15/h6-13H,2-5,14H2,1H3/b10-6+,16-13-.
What are the key properties of (E)-N-benzyloct-2-en-1-imine oxide?
(E)-N-benzyloct-2-en-1-imine oxide has a molecular weight of 231.34 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyloct-2-en-1-imine oxide is sourced from PubChem (CID 170783246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).