(Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine

C13H18N2O2 — CID 89397914

IUPAC(Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine
SMILES[H]/N=C/C(=C/C)C(=C)O/N=C\C(=C\C)C(=C)OC
InChIInChI=1S/C13H18N2O2/c1-6-12(8-14)11(4)17-15-9-13(7-2)10(3)16-5/h6-9,14H,3-4H2,1-2,5H3/b12-6-,13-7-,14-8+,15-9-
InChIKeySITWOSOOTRYUEX-GPTXCSPSSA-N
MW234.30 g/mol
LogP3.20
Rot. Bonds7

About (Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine

(Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine (PubChem CID 89397914) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine
PubChem CID89397914
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine
SMILES[H]/N=C/C(=C/C)C(=C)O/N=C\C(=C\C)C(=C)OC
InChIInChI=1S/C13H18N2O2/c1-6-12(8-14)11(4)17-15-9-13(7-2)10(3)16-5/h6-9,14H,3-4H2,1-2,5H3/b12-6-,13-7-,14-8+,15-9-
InChIKeySITWOSOOTRYUEX-GPTXCSPSSA-N
XLogP3.20
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine?
The IUPAC name of (Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine (CID 89397914) is (Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine?
The canonical SMILES for (Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine is [H]/N=C/C(=C/C)C(=C)O/N=C\C(=C\C)C(=C)OC.
What is the InChIKey of (Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine?
The InChIKey is SITWOSOOTRYUEX-GPTXCSPSSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-6-12(8-14)11(4)17-15-9-13(7-2)10(3)16-5/h6-9,14H,3-4H2,1-2,5H3/b12-6-,13-7-,14-8+,15-9-.
What are the key properties of (Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine?
(Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine has a molecular weight of 234.30 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-[(Z)-[(Z)-2-(1-methoxyethenyl)but-2-enylidene]amino]oxyethenyl]but-2-en-1-imine is sourced from PubChem (CID 89397914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).