6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde

C9H11NO — CID 57073518

IUPAC6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde
SMILESC=C=CC1NCCC=C1C=O
InChIInChI=1S/C9H11NO/c1-2-4-9-8(7-11)5-3-6-10-9/h4-5,7,9-10H,1,3,6H2
InChIKeyODFWDIYCYGENIH-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.81
Rot. Bonds2

About 6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde

6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde (PubChem CID 57073518) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde.

Molecular Properties

Compound Name6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde
PubChem CID57073518
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde
SMILESC=C=CC1NCCC=C1C=O
InChIInChI=1S/C9H11NO/c1-2-4-9-8(7-11)5-3-6-10-9/h4-5,7,9-10H,1,3,6H2
InChIKeyODFWDIYCYGENIH-UHFFFAOYSA-N
XLogP0.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.81
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 6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde?
The IUPAC name of 6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde (CID 57073518) is 6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde.
What is the SMILES notation for 6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde?
The canonical SMILES for 6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde is C=C=CC1NCCC=C1C=O.
What is the InChIKey of 6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde?
The InChIKey is ODFWDIYCYGENIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-4-9-8(7-11)5-3-6-10-9/h4-5,7,9-10H,1,3,6H2.
What are the key properties of 6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde?
6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde has a molecular weight of 149.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde is sourced from PubChem (CID 57073518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).