(Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine

C10H17NO2 — CID 142904551

IUPAC(Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine
SMILESC=C(/N=C\C(CC)=C(/C)OC)OC
InChIInChI=1S/C10H17NO2/c1-6-10(8(2)12-4)7-11-9(3)13-5/h7H,3,6H2,1-2,4-5H3/b10-8+,11-7-
InChIKeyFCDFZSPBKQSVJU-KSUSISMRSA-N
MW183.25 g/mol
LogP2.51
Rot. Bonds5

About (Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine

(Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine (PubChem CID 142904551) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine
PubChem CID142904551
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine
SMILESC=C(/N=C\C(CC)=C(/C)OC)OC
InChIInChI=1S/C10H17NO2/c1-6-10(8(2)12-4)7-11-9(3)13-5/h7H,3,6H2,1-2,4-5H3/b10-8+,11-7-
InChIKeyFCDFZSPBKQSVJU-KSUSISMRSA-N
XLogP2.51
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine?
The IUPAC name of (Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine (CID 142904551) is (Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine.
What is the SMILES notation for (Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine?
The canonical SMILES for (Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine is C=C(/N=C\C(CC)=C(/C)OC)OC.
What is the InChIKey of (Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine?
The InChIKey is FCDFZSPBKQSVJU-KSUSISMRSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-10(8(2)12-4)7-11-9(3)13-5/h7H,3,6H2,1-2,4-5H3/b10-8+,11-7-.
What are the key properties of (Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine?
(Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine has a molecular weight of 183.25 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-2-ethyl-3-methoxy-N-(1-methoxyethenyl)but-2-en-1-imine is sourced from PubChem (CID 142904551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).