4-ethenylaniline;hydroiodide

C8H10IN — CID 175384899

IUPAC4-ethenylaniline;hydroiodide
SMILESC=Cc1ccc(N)cc1.I
InChIInChI=1S/C8H9N.HI/c1-2-7-3-5-8(9)6-4-7;/h2-6H,1,9H2;1H
InChIKeyWALCLDUGYLYHJN-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.53
Rot. Bonds1

About 4-ethenylaniline;hydroiodide

4-ethenylaniline;hydroiodide (PubChem CID 175384899) has the molecular formula C8H10IN and a molecular weight of 247.08 g/mol. Its IUPAC name is 4-ethenylaniline;hydroiodide.

Molecular Properties

Compound Name4-ethenylaniline;hydroiodide
PubChem CID175384899
Molecular FormulaC8H10IN
Molecular Weight247.08 g/mol
Exact Mass246.99
IUPAC Name4-ethenylaniline;hydroiodide
SMILESC=Cc1ccc(N)cc1.I
InChIInChI=1S/C8H9N.HI/c1-2-7-3-5-8(9)6-4-7;/h2-6H,1,9H2;1H
InChIKeyWALCLDUGYLYHJN-UHFFFAOYSA-N
XLogP2.53
TPSA26.02 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-penta-1,4-dienylaniline
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Frequently Asked Questions

What is the IUPAC name of 4-ethenylaniline;hydroiodide?
The IUPAC name of 4-ethenylaniline;hydroiodide (CID 175384899) is 4-ethenylaniline;hydroiodide.
What is the SMILES notation for 4-ethenylaniline;hydroiodide?
The canonical SMILES for 4-ethenylaniline;hydroiodide is C=Cc1ccc(N)cc1.I.
What is the InChIKey of 4-ethenylaniline;hydroiodide?
The InChIKey is WALCLDUGYLYHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.HI/c1-2-7-3-5-8(9)6-4-7;/h2-6H,1,9H2;1H.
What are the key properties of 4-ethenylaniline;hydroiodide?
4-ethenylaniline;hydroiodide has a molecular weight of 247.08 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylaniline;hydroiodide is sourced from PubChem (CID 175384899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).