2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine

C8H12IN — CID 88995176

IUPAC2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine
SMILESC=C(I)/C=N/C(=C\C)CC
InChIInChI=1S/C8H12IN/c1-4-8(5-2)10-6-7(3)9/h4,6H,3,5H2,1-2H3/b8-4-,10-6+
InChIKeyDCXTZBZELOXTKI-KHPAHMTISA-N
MW249.09 g/mol
LogP3.32
Rot. Bonds3

About 2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine

2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine (PubChem CID 88995176) has the molecular formula C8H12IN and a molecular weight of 249.09 g/mol. Its IUPAC name is 2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine
PubChem CID88995176
Molecular FormulaC8H12IN
Molecular Weight249.09 g/mol
Exact Mass249.00
IUPAC Name2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine
SMILESC=C(I)/C=N/C(=C\C)CC
InChIInChI=1S/C8H12IN/c1-4-8(5-2)10-6-7(3)9/h4,6H,3,5H2,1-2H3/b8-4-,10-6+
InChIKeyDCXTZBZELOXTKI-KHPAHMTISA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine?
The IUPAC name of 2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine (CID 88995176) is 2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine.
What is the SMILES notation for 2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine?
The canonical SMILES for 2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine is C=C(I)/C=N/C(=C\C)CC.
What is the InChIKey of 2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine?
The InChIKey is DCXTZBZELOXTKI-KHPAHMTISA-N. The full InChI is InChI=1S/C8H12IN/c1-4-8(5-2)10-6-7(3)9/h4,6H,3,5H2,1-2H3/b8-4-,10-6+.
What are the key properties of 2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine?
2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine has a molecular weight of 249.09 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine is sourced from PubChem (CID 88995176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).