ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate

C18H28N2O3 — CID 143077903

IUPACethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate
SMILESC=C.C=C.C=CCOC(=C)/N=C(\N=C(/C)OCC=C)OCC=C
InChIInChI=1S/C14H20N2O3.2C2H4/c1-6-9-17-12(4)15-14(19-11-8-3)16-13(5)18-10-7-2;2*1-2/h6-8H,1-4,9-11H2,5H3;2*1-2H2/b15-14+,16-13+;;
InChIKeyWAHZGVYBUXZHHD-BZRJERGESA-N
MW320.43 g/mol
LogP4.44
Rot. Bonds8

About ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate

ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate (PubChem CID 143077903) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate.

Molecular Properties

Compound Nameethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate
PubChem CID143077903
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nameethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate
SMILESC=C.C=C.C=CCOC(=C)/N=C(\N=C(/C)OCC=C)OCC=C
InChIInChI=1S/C14H20N2O3.2C2H4/c1-6-9-17-12(4)15-14(19-11-8-3)16-13(5)18-10-7-2;2*1-2/h6-8H,1-4,9-11H2,5H3;2*1-2H2/b15-14+,16-13+;;
InChIKeyWAHZGVYBUXZHHD-BZRJERGESA-N
XLogP4.44
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.44
H-Bond Donors ≤ 50
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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butan-2-one;prop-2-enyl acetate
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prop-2-enyl 2-methylidenebutanoate
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ethoxyethane;prop-2-enyl 2-methylprop-2-enoate
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prop-2-enyl 2-(acetyloxymethyl)prop-2-enoate
CID 87121209

Frequently Asked Questions

What is the IUPAC name of ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate?
The IUPAC name of ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate (CID 143077903) is ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate.
What is the SMILES notation for ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate?
The canonical SMILES for ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate is C=C.C=C.C=CCOC(=C)/N=C(\N=C(/C)OCC=C)OCC=C.
What is the InChIKey of ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate?
The InChIKey is WAHZGVYBUXZHHD-BZRJERGESA-N. The full InChI is InChI=1S/C14H20N2O3.2C2H4/c1-6-9-17-12(4)15-14(19-11-8-3)16-13(5)18-10-7-2;2*1-2/h6-8H,1-4,9-11H2,5H3;2*1-2H2/b15-14+,16-13+;;.
What are the key properties of ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate?
ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate has a molecular weight of 320.43 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;prop-2-enyl (1E)-N-[(E)-C-prop-2-enoxy-N-(1-prop-2-enoxyethenyl)carbonimidoyl]ethanimidate is sourced from PubChem (CID 143077903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).