4-[(E)-2-(methylamino)ethenyl]aniline

C9H12N2 — CID 89079211

IUPAC4-[(E)-2-(methylamino)ethenyl]aniline
SMILESCN/C=C/c1ccc(N)cc1
InChIInChI=1S/C9H12N2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-7,11H,10H2,1H3/b7-6+
InChIKeyZWKUIYCMXOPKRQ-VOTSOKGWSA-N
MW148.21 g/mol
LogP1.46
Rot. Bonds2

About 4-[(E)-2-(methylamino)ethenyl]aniline

4-[(E)-2-(methylamino)ethenyl]aniline (PubChem CID 89079211) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-[(E)-2-(methylamino)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(methylamino)ethenyl]aniline
PubChem CID89079211
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4-[(E)-2-(methylamino)ethenyl]aniline
SMILESCN/C=C/c1ccc(N)cc1
InChIInChI=1S/C9H12N2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-7,11H,10H2,1H3/b7-6+
InChIKeyZWKUIYCMXOPKRQ-VOTSOKGWSA-N
XLogP1.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-2-(methylamino)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(methylamino)ethenyl]aniline (CID 89079211) is 4-[(E)-2-(methylamino)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(methylamino)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(methylamino)ethenyl]aniline is CN/C=C/c1ccc(N)cc1.
What is the InChIKey of 4-[(E)-2-(methylamino)ethenyl]aniline?
The InChIKey is ZWKUIYCMXOPKRQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H12N2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-7,11H,10H2,1H3/b7-6+.
What are the key properties of 4-[(E)-2-(methylamino)ethenyl]aniline?
4-[(E)-2-(methylamino)ethenyl]aniline has a molecular weight of 148.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(methylamino)ethenyl]aniline is sourced from PubChem (CID 89079211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).