ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine

C8H14IN — CID 143884394

IUPACethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C\CI.C=C
InChIInChI=1S/C6H10IN.C2H4/c1-3-8-6(2)4-5-7;1-2/h3-4H,5H2,1-2H3;1-2H2/b6-4-,8-3+;
InChIKeyHFAIQTRXONGDJM-OVXZIHRBSA-N
MW251.11 g/mol
LogP3.22
Rot. Bonds2

About ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine

ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine (PubChem CID 143884394) has the molecular formula C8H14IN and a molecular weight of 251.11 g/mol. Its IUPAC name is ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine.

Molecular Properties

Compound Nameethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine
PubChem CID143884394
Molecular FormulaC8H14IN
Molecular Weight251.11 g/mol
Exact Mass251.02
IUPAC Nameethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C\CI.C=C
InChIInChI=1S/C6H10IN.C2H4/c1-3-8-6(2)4-5-7;1-2/h3-4H,5H2,1-2H3;1-2H2/b6-4-,8-3+;
InChIKeyHFAIQTRXONGDJM-OVXZIHRBSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-[(Z)-1-methylsulfanylprop-1-en-2-yl]ethanimine
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N-[(E)-4-methylhex-2-en-2-yl]ethanimine
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N'-[(Z)-hex-2-en-2-yl]methanimidamide
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N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine
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CID 163263223
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CID 167041258

Frequently Asked Questions

What is the IUPAC name of ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine?
The IUPAC name of ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine (CID 143884394) is ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine.
What is the SMILES notation for ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine?
The canonical SMILES for ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine is C/C=N/C(C)=C\CI.C=C.
What is the InChIKey of ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine?
The InChIKey is HFAIQTRXONGDJM-OVXZIHRBSA-N. The full InChI is InChI=1S/C6H10IN.C2H4/c1-3-8-6(2)4-5-7;1-2/h3-4H,5H2,1-2H3;1-2H2/b6-4-,8-3+;.
What are the key properties of ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine?
ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine has a molecular weight of 251.11 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine is sourced from PubChem (CID 143884394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).