(E)-4-methoxy-N-methylhept-4-en-3-imine

C9H17NO — CID 166783265

IUPAC(E)-4-methoxy-N-methylhept-4-en-3-imine
SMILESCC/C=C(OC)\C(CC)=N\C
InChIInChI=1S/C9H17NO/c1-5-7-9(11-4)8(6-2)10-3/h7H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyORXQYYAUIWTVQF-FIFLTTCUSA-N
MW155.24 g/mol
LogP2.41
Rot. Bonds4

About (E)-4-methoxy-N-methylhept-4-en-3-imine

(E)-4-methoxy-N-methylhept-4-en-3-imine (PubChem CID 166783265) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-4-methoxy-N-methylhept-4-en-3-imine.

Molecular Properties

Compound Name(E)-4-methoxy-N-methylhept-4-en-3-imine
PubChem CID166783265
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-4-methoxy-N-methylhept-4-en-3-imine
SMILESCC/C=C(OC)\C(CC)=N\C
InChIInChI=1S/C9H17NO/c1-5-7-9(11-4)8(6-2)10-3/h7H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyORXQYYAUIWTVQF-FIFLTTCUSA-N
XLogP2.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methoxy-N-methylhept-4-en-3-imine?
The IUPAC name of (E)-4-methoxy-N-methylhept-4-en-3-imine (CID 166783265) is (E)-4-methoxy-N-methylhept-4-en-3-imine.
What is the SMILES notation for (E)-4-methoxy-N-methylhept-4-en-3-imine?
The canonical SMILES for (E)-4-methoxy-N-methylhept-4-en-3-imine is CC/C=C(OC)\C(CC)=N\C.
What is the InChIKey of (E)-4-methoxy-N-methylhept-4-en-3-imine?
The InChIKey is ORXQYYAUIWTVQF-FIFLTTCUSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-7-9(11-4)8(6-2)10-3/h7H,5-6H2,1-4H3/b9-7+,10-8+.
What are the key properties of (E)-4-methoxy-N-methylhept-4-en-3-imine?
(E)-4-methoxy-N-methylhept-4-en-3-imine has a molecular weight of 155.24 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methoxy-N-methylhept-4-en-3-imine is sourced from PubChem (CID 166783265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).