6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde

C9H10N2O — CID 55293225

IUPAC6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde
SMILESC=CC(N)c1cccc(C=O)n1
InChIInChI=1S/C9H10N2O/c1-2-8(10)9-5-3-4-7(6-12)11-9/h2-6,8H,1,10H2
InChIKeyOKCREMMDTXIVAW-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.08
Rot. Bonds3

About 6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde

6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde (PubChem CID 55293225) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde
PubChem CID55293225
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde
SMILESC=CC(N)c1cccc(C=O)n1
InChIInChI=1S/C9H10N2O/c1-2-8(10)9-5-3-4-7(6-12)11-9/h2-6,8H,1,10H2
InChIKeyOKCREMMDTXIVAW-UHFFFAOYSA-N
XLogP1.08
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde (CID 55293225) is 6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde is C=CC(N)c1cccc(C=O)n1.
What is the InChIKey of 6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde?
The InChIKey is OKCREMMDTXIVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-8(10)9-5-3-4-7(6-12)11-9/h2-6,8H,1,10H2.
What are the key properties of 6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde?
6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde has a molecular weight of 162.19 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoprop-2-enyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 55293225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).