(Z,E)-N-methoxyhex-4-en-3-imine

C7H13NO — CID 5365743

IUPAC(Z,E)-N-methoxyhex-4-en-3-imine
SMILESC/C=C/C(CC)=N\OC
InChIInChI=1S/C7H13NO/c1-4-6-7(5-2)8-9-3/h4,6H,5H2,1-3H3/b6-4+,8-7-
InChIKeyVZPBBTSICCWIFK-AQXDOAQYSA-N
MW127.19 g/mol
LogP1.97
Rot. Bonds3

About (Z,E)-N-methoxyhex-4-en-3-imine

(Z,E)-N-methoxyhex-4-en-3-imine (PubChem CID 5365743) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z,E)-N-methoxyhex-4-en-3-imine.

Molecular Properties

Compound Name(Z,E)-N-methoxyhex-4-en-3-imine
PubChem CID5365743
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(Z,E)-N-methoxyhex-4-en-3-imine
SMILESC/C=C/C(CC)=N\OC
InChIInChI=1S/C7H13NO/c1-4-6-7(5-2)8-9-3/h4,6H,5H2,1-3H3/b6-4+,8-7-
InChIKeyVZPBBTSICCWIFK-AQXDOAQYSA-N
XLogP1.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (Z,E)-N-methoxyhex-4-en-3-imine?
The IUPAC name of (Z,E)-N-methoxyhex-4-en-3-imine (CID 5365743) is (Z,E)-N-methoxyhex-4-en-3-imine.
What is the SMILES notation for (Z,E)-N-methoxyhex-4-en-3-imine?
The canonical SMILES for (Z,E)-N-methoxyhex-4-en-3-imine is C/C=C/C(CC)=N\OC.
What is the InChIKey of (Z,E)-N-methoxyhex-4-en-3-imine?
The InChIKey is VZPBBTSICCWIFK-AQXDOAQYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6-7(5-2)8-9-3/h4,6H,5H2,1-3H3/b6-4+,8-7-.
What are the key properties of (Z,E)-N-methoxyhex-4-en-3-imine?
(Z,E)-N-methoxyhex-4-en-3-imine has a molecular weight of 127.19 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-N-methoxyhex-4-en-3-imine is sourced from PubChem (CID 5365743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).