4-(4-aminobut-1-enyl)benzaldehyde

C11H13NO — CID 170486569

IUPAC4-(4-aminobut-1-enyl)benzaldehyde
SMILESNCCC=Cc1ccc(C=O)cc1
InChIInChI=1S/C11H13NO/c12-8-2-1-3-10-4-6-11(9-13)7-5-10/h1,3-7,9H,2,8,12H2
InChIKeyHAHVMLRSLRBEPD-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.86
Rot. Bonds4

About 4-(4-aminobut-1-enyl)benzaldehyde

4-(4-aminobut-1-enyl)benzaldehyde (PubChem CID 170486569) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-(4-aminobut-1-enyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-aminobut-1-enyl)benzaldehyde
PubChem CID170486569
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-(4-aminobut-1-enyl)benzaldehyde
SMILESNCCC=Cc1ccc(C=O)cc1
InChIInChI=1S/C11H13NO/c12-8-2-1-3-10-4-6-11(9-13)7-5-10/h1,3-7,9H,2,8,12H2
InChIKeyHAHVMLRSLRBEPD-UHFFFAOYSA-N
XLogP1.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.86
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-(4-aminobut-1-enyl)benzaldehyde?
The IUPAC name of 4-(4-aminobut-1-enyl)benzaldehyde (CID 170486569) is 4-(4-aminobut-1-enyl)benzaldehyde.
What is the SMILES notation for 4-(4-aminobut-1-enyl)benzaldehyde?
The canonical SMILES for 4-(4-aminobut-1-enyl)benzaldehyde is NCCC=Cc1ccc(C=O)cc1.
What is the InChIKey of 4-(4-aminobut-1-enyl)benzaldehyde?
The InChIKey is HAHVMLRSLRBEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-8-2-1-3-10-4-6-11(9-13)7-5-10/h1,3-7,9H,2,8,12H2.
What are the key properties of 4-(4-aminobut-1-enyl)benzaldehyde?
4-(4-aminobut-1-enyl)benzaldehyde has a molecular weight of 175.23 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobut-1-enyl)benzaldehyde is sourced from PubChem (CID 170486569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).