(3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole

C8H10IN — CID 175637052

IUPAC(3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole
SMILESC/C(I)=C\C=C1\C=CNC1
InChIInChI=1S/C8H10IN/c1-7(9)2-3-8-4-5-10-6-8/h2-5,10H,6H2,1H3/b7-2+,8-3-
InChIKeyYEHJLSWVMCGBJX-QUJXVZSASA-N
MW247.08 g/mol
LogP2.37
Rot. Bonds1

About (3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole

(3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole (PubChem CID 175637052) has the molecular formula C8H10IN and a molecular weight of 247.08 g/mol. Its IUPAC name is (3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole.

Molecular Properties

Compound Name(3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole
PubChem CID175637052
Molecular FormulaC8H10IN
Molecular Weight247.08 g/mol
Exact Mass246.99
IUPAC Name(3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole
SMILESC/C(I)=C\C=C1\C=CNC1
InChIInChI=1S/C8H10IN/c1-7(9)2-3-8-4-5-10-6-8/h2-5,10H,6H2,1H3/b7-2+,8-3-
InChIKeyYEHJLSWVMCGBJX-QUJXVZSASA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole?
The IUPAC name of (3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole (CID 175637052) is (3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole.
What is the SMILES notation for (3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole?
The canonical SMILES for (3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole is C/C(I)=C\C=C1\C=CNC1.
What is the InChIKey of (3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole?
The InChIKey is YEHJLSWVMCGBJX-QUJXVZSASA-N. The full InChI is InChI=1S/C8H10IN/c1-7(9)2-3-8-4-5-10-6-8/h2-5,10H,6H2,1H3/b7-2+,8-3-.
What are the key properties of (3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole?
(3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole has a molecular weight of 247.08 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-3-iodobut-2-enylidene]-1,2-dihydropyrrole is sourced from PubChem (CID 175637052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).