4-[(E)-prop-1-enyl]aniline;hydrochloride

C9H12ClN — CID 119031382

IUPAC4-[(E)-prop-1-enyl]aniline;hydrochloride
SMILESC/C=C/c1ccc(N)cc1.Cl
InChIInChI=1S/C9H11N.ClH/c1-2-3-8-4-6-9(10)7-5-8;/h2-7H,10H2,1H3;1H/b3-2+;
InChIKeyDVZJRJRMYNYXOV-SQQVDAMQSA-N
MW169.65 g/mol
LogP2.72
Rot. Bonds1

About 4-[(E)-prop-1-enyl]aniline;hydrochloride

4-[(E)-prop-1-enyl]aniline;hydrochloride (PubChem CID 119031382) has the molecular formula C9H12ClN and a molecular weight of 169.65 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]aniline;hydrochloride.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]aniline;hydrochloride
PubChem CID119031382
Molecular FormulaC9H12ClN
Molecular Weight169.65 g/mol
Exact Mass169.07
IUPAC Name4-[(E)-prop-1-enyl]aniline;hydrochloride
SMILESC/C=C/c1ccc(N)cc1.Cl
InChIInChI=1S/C9H11N.ClH/c1-2-3-8-4-6-9(10)7-5-8;/h2-7H,10H2,1H3;1H/b3-2+;
InChIKeyDVZJRJRMYNYXOV-SQQVDAMQSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 52.72
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 4-[(E)-prop-1-enyl]aniline;hydrochloride?
The IUPAC name of 4-[(E)-prop-1-enyl]aniline;hydrochloride (CID 119031382) is 4-[(E)-prop-1-enyl]aniline;hydrochloride.
What is the SMILES notation for 4-[(E)-prop-1-enyl]aniline;hydrochloride?
The canonical SMILES for 4-[(E)-prop-1-enyl]aniline;hydrochloride is C/C=C/c1ccc(N)cc1.Cl.
What is the InChIKey of 4-[(E)-prop-1-enyl]aniline;hydrochloride?
The InChIKey is DVZJRJRMYNYXOV-SQQVDAMQSA-N. The full InChI is InChI=1S/C9H11N.ClH/c1-2-3-8-4-6-9(10)7-5-8;/h2-7H,10H2,1H3;1H/b3-2+;.
What are the key properties of 4-[(E)-prop-1-enyl]aniline;hydrochloride?
4-[(E)-prop-1-enyl]aniline;hydrochloride has a molecular weight of 169.65 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]aniline;hydrochloride is sourced from PubChem (CID 119031382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).