N-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine

C7H10IN — CID 90067694

IUPACN-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine
SMILESC=C/C(C)=N/C(C)=C\I
InChIInChI=1S/C7H10IN/c1-4-6(2)9-7(3)5-8/h4-5H,1H2,2-3H3/b7-5-,9-6+
InChIKeyIOWCTQVFXBEEJA-XCZNYUDNSA-N
MW235.07 g/mol
LogP2.93
Rot. Bonds2

About N-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine

N-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine (PubChem CID 90067694) has the molecular formula C7H10IN and a molecular weight of 235.07 g/mol. Its IUPAC name is N-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine.

Molecular Properties

Compound NameN-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine
PubChem CID90067694
Molecular FormulaC7H10IN
Molecular Weight235.07 g/mol
Exact Mass234.99
IUPAC NameN-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine
SMILESC=C/C(C)=N/C(C)=C\I
InChIInChI=1S/C7H10IN/c1-4-6(2)9-7(3)5-8/h4-5H,1H2,2-3H3/b7-5-,9-6+
InChIKeyIOWCTQVFXBEEJA-XCZNYUDNSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.93
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 N-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine?
The IUPAC name of N-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine (CID 90067694) is N-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine.
What is the SMILES notation for N-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine?
The canonical SMILES for N-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine is C=C/C(C)=N/C(C)=C\I.
What is the InChIKey of N-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine?
The InChIKey is IOWCTQVFXBEEJA-XCZNYUDNSA-N. The full InChI is InChI=1S/C7H10IN/c1-4-6(2)9-7(3)5-8/h4-5H,1H2,2-3H3/b7-5-,9-6+.
What are the key properties of N-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine?
N-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine has a molecular weight of 235.07 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-iodoprop-1-en-2-yl]but-3-en-2-imine is sourced from PubChem (CID 90067694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).