(Z)-2-methoxyhex-4-en-3-imine

C7H13NO — CID 123185055

IUPAC(Z)-2-methoxyhex-4-en-3-imine
SMILES[H]/N=C(/C=C\C)C(C)OC
InChIInChI=1S/C7H13NO/c1-4-5-7(8)6(2)9-3/h4-6,8H,1-3H3/b5-4-,8-7-
InChIKeyVINSCLCEZGCJRM-UTOQUPLUSA-N
MW127.19 g/mol
LogP1.62
Rot. Bonds3

About (Z)-2-methoxyhex-4-en-3-imine

(Z)-2-methoxyhex-4-en-3-imine (PubChem CID 123185055) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-2-methoxyhex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-2-methoxyhex-4-en-3-imine
PubChem CID123185055
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(Z)-2-methoxyhex-4-en-3-imine
SMILES[H]/N=C(/C=C\C)C(C)OC
InChIInChI=1S/C7H13NO/c1-4-5-7(8)6(2)9-3/h4-6,8H,1-3H3/b5-4-,8-7-
InChIKeyVINSCLCEZGCJRM-UTOQUPLUSA-N
XLogP1.62
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methoxyhex-4-en-3-imine?
The IUPAC name of (Z)-2-methoxyhex-4-en-3-imine (CID 123185055) is (Z)-2-methoxyhex-4-en-3-imine.
What is the SMILES notation for (Z)-2-methoxyhex-4-en-3-imine?
The canonical SMILES for (Z)-2-methoxyhex-4-en-3-imine is [H]/N=C(/C=C\C)C(C)OC.
What is the InChIKey of (Z)-2-methoxyhex-4-en-3-imine?
The InChIKey is VINSCLCEZGCJRM-UTOQUPLUSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-7(8)6(2)9-3/h4-6,8H,1-3H3/b5-4-,8-7-.
What are the key properties of (Z)-2-methoxyhex-4-en-3-imine?
(Z)-2-methoxyhex-4-en-3-imine has a molecular weight of 127.19 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methoxyhex-4-en-3-imine is sourced from PubChem (CID 123185055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).