2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline

C13H15NO — CID 139572310

IUPAC2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline
SMILESC=Cc1cc(C(=C)OC(=C)C)ccc1N
InChIInChI=1S/C13H15NO/c1-5-11-8-12(6-7-13(11)14)10(4)15-9(2)3/h5-8H,1-2,4,14H2,3H3
InChIKeyVKWKDJPWICBJMX-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.43
Rot. Bonds4

About 2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline

2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline (PubChem CID 139572310) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline.

Molecular Properties

Compound Name2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline
PubChem CID139572310
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline
SMILESC=Cc1cc(C(=C)OC(=C)C)ccc1N
InChIInChI=1S/C13H15NO/c1-5-11-8-12(6-7-13(11)14)10(4)15-9(2)3/h5-8H,1-2,4,14H2,3H3
InChIKeyVKWKDJPWICBJMX-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline?
The IUPAC name of 2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline (CID 139572310) is 2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline.
What is the SMILES notation for 2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline?
The canonical SMILES for 2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline is C=Cc1cc(C(=C)OC(=C)C)ccc1N.
What is the InChIKey of 2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline?
The InChIKey is VKWKDJPWICBJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-5-11-8-12(6-7-13(11)14)10(4)15-9(2)3/h5-8H,1-2,4,14H2,3H3.
What are the key properties of 2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline?
2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline has a molecular weight of 201.27 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-(1-prop-1-en-2-yloxyethenyl)aniline is sourced from PubChem (CID 139572310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).