4-(1-aminoethenyl)benzaldehyde

C9H9NO — CID 89321347

IUPAC4-(1-aminoethenyl)benzaldehyde
SMILESC=C(N)c1ccc(C=O)cc1
InChIInChI=1S/C9H9NO/c1-7(10)9-4-2-8(6-11)3-5-9/h2-6H,1,10H2
InChIKeyNTWPJHQQYGIJAT-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.43
Rot. Bonds2

About 4-(1-aminoethenyl)benzaldehyde

4-(1-aminoethenyl)benzaldehyde (PubChem CID 89321347) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-(1-aminoethenyl)benzaldehyde.

Molecular Properties

Compound Name4-(1-aminoethenyl)benzaldehyde
PubChem CID89321347
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4-(1-aminoethenyl)benzaldehyde
SMILESC=C(N)c1ccc(C=O)cc1
InChIInChI=1S/C9H9NO/c1-7(10)9-4-2-8(6-11)3-5-9/h2-6H,1,10H2
InChIKeyNTWPJHQQYGIJAT-UHFFFAOYSA-N
XLogP1.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethenyl)benzaldehyde?
The IUPAC name of 4-(1-aminoethenyl)benzaldehyde (CID 89321347) is 4-(1-aminoethenyl)benzaldehyde.
What is the SMILES notation for 4-(1-aminoethenyl)benzaldehyde?
The canonical SMILES for 4-(1-aminoethenyl)benzaldehyde is C=C(N)c1ccc(C=O)cc1.
What is the InChIKey of 4-(1-aminoethenyl)benzaldehyde?
The InChIKey is NTWPJHQQYGIJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-7(10)9-4-2-8(6-11)3-5-9/h2-6H,1,10H2.
What are the key properties of 4-(1-aminoethenyl)benzaldehyde?
4-(1-aminoethenyl)benzaldehyde has a molecular weight of 147.18 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethenyl)benzaldehyde is sourced from PubChem (CID 89321347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).