(Z)-N-benzylhept-4-en-1-imine oxide

C14H19NO — CID 170783256

IUPAC(Z)-N-benzylhept-4-en-1-imine oxide
SMILESCC/C=C\CC/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-4-5-9-12-15(16)13-14-10-7-6-8-11-14/h3-4,6-8,10-12H,2,5,9,13H2,1H3/b4-3-,15-12-
InChIKeyAUCFWKWUUPOEER-ZJHKFPFESA-N
MW217.31 g/mol
LogP3.51
Rot. Bonds6

About (Z)-N-benzylhept-4-en-1-imine oxide

(Z)-N-benzylhept-4-en-1-imine oxide (PubChem CID 170783256) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (Z)-N-benzylhept-4-en-1-imine oxide.

Molecular Properties

Compound Name(Z)-N-benzylhept-4-en-1-imine oxide
PubChem CID170783256
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(Z)-N-benzylhept-4-en-1-imine oxide
SMILESCC/C=C\CC/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-4-5-9-12-15(16)13-14-10-7-6-8-11-14/h3-4,6-8,10-12H,2,5,9,13H2,1H3/b4-3-,15-12-
InChIKeyAUCFWKWUUPOEER-ZJHKFPFESA-N
XLogP3.51
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.51
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': 'isolated_alkene', '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 (Z)-N-benzylhept-4-en-1-imine oxide?
The IUPAC name of (Z)-N-benzylhept-4-en-1-imine oxide (CID 170783256) is (Z)-N-benzylhept-4-en-1-imine oxide.
What is the SMILES notation for (Z)-N-benzylhept-4-en-1-imine oxide?
The canonical SMILES for (Z)-N-benzylhept-4-en-1-imine oxide is CC/C=C\CC/C=[N+](\[O-])Cc1ccccc1.
What is the InChIKey of (Z)-N-benzylhept-4-en-1-imine oxide?
The InChIKey is AUCFWKWUUPOEER-ZJHKFPFESA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-4-5-9-12-15(16)13-14-10-7-6-8-11-14/h3-4,6-8,10-12H,2,5,9,13H2,1H3/b4-3-,15-12-.
What are the key properties of (Z)-N-benzylhept-4-en-1-imine oxide?
(Z)-N-benzylhept-4-en-1-imine oxide has a molecular weight of 217.31 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzylhept-4-en-1-imine oxide is sourced from PubChem (CID 170783256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).