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

C9H9NO — CID 89268689

IUPAC6-propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde
SMILESC=C=CC1=NCCC=C1C=O
InChIInChI=1S/C9H9NO/c1-2-4-9-8(7-11)5-3-6-10-9/h4-5,7H,1,3,6H2
InChIKeyALHXKIFIZCLKNS-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.30
Rot. Bonds2

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

6-propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde (PubChem CID 89268689) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 6-propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde.

Molecular Properties

Compound Name6-propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde
PubChem CID89268689
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name6-propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde
SMILESC=C=CC1=NCCC=C1C=O
InChIInChI=1S/C9H9NO/c1-2-4-9-8(7-11)5-3-6-10-9/h4-5,7H,1,3,6H2
InChIKeyALHXKIFIZCLKNS-UHFFFAOYSA-N
XLogP1.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
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-2,3-dihydropyridine-5-carbaldehyde?
The IUPAC name of 6-propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde (CID 89268689) is 6-propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde.
What is the SMILES notation for 6-propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde?
The canonical SMILES for 6-propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde is C=C=CC1=NCCC=C1C=O.
What is the InChIKey of 6-propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde?
The InChIKey is ALHXKIFIZCLKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-4-9-8(7-11)5-3-6-10-9/h4-5,7H,1,3,6H2.
What are the key properties of 6-propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde?
6-propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde has a molecular weight of 147.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propa-1,2-dienyl-2,3-dihydropyridine-5-carbaldehyde is sourced from PubChem (CID 89268689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).