3-ethenylaniline;hydrochloride

C8H10ClN — CID 70700938

IUPAC3-ethenylaniline;hydrochloride
SMILESC=Cc1cccc(N)c1.Cl
InChIInChI=1S/C8H9N.ClH/c1-2-7-4-3-5-8(9)6-7;/h2-6H,1,9H2;1H
InChIKeyXHVKJUHGISDIOC-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.33
Rot. Bonds1

About 3-ethenylaniline;hydrochloride

3-ethenylaniline;hydrochloride (PubChem CID 70700938) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 3-ethenylaniline;hydrochloride.

Molecular Properties

Compound Name3-ethenylaniline;hydrochloride
PubChem CID70700938
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name3-ethenylaniline;hydrochloride
SMILESC=Cc1cccc(N)c1.Cl
InChIInChI=1S/C8H9N.ClH/c1-2-7-4-3-5-8(9)6-7;/h2-6H,1,9H2;1H
InChIKeyXHVKJUHGISDIOC-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylaniline;hydrochloride?
The IUPAC name of 3-ethenylaniline;hydrochloride (CID 70700938) is 3-ethenylaniline;hydrochloride.
What is the SMILES notation for 3-ethenylaniline;hydrochloride?
The canonical SMILES for 3-ethenylaniline;hydrochloride is C=Cc1cccc(N)c1.Cl.
What is the InChIKey of 3-ethenylaniline;hydrochloride?
The InChIKey is XHVKJUHGISDIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.ClH/c1-2-7-4-3-5-8(9)6-7;/h2-6H,1,9H2;1H.
What are the key properties of 3-ethenylaniline;hydrochloride?
3-ethenylaniline;hydrochloride has a molecular weight of 155.63 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylaniline;hydrochloride is sourced from PubChem (CID 70700938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).