2-methyl-2,5-dihydropyridine-6-carbaldehyde

C7H9NO — CID 12558907

IUPAC2-methyl-2,5-dihydropyridine-6-carbaldehyde
SMILESCC1C=CCC(C=O)=N1
InChIInChI=1S/C7H9NO/c1-6-3-2-4-7(5-9)8-6/h2-3,5-6H,4H2,1H3
InChIKeyJZHGVQFDUCMTBB-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.97
Rot. Bonds1

About 2-methyl-2,5-dihydropyridine-6-carbaldehyde

2-methyl-2,5-dihydropyridine-6-carbaldehyde (PubChem CID 12558907) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-methyl-2,5-dihydropyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-methyl-2,5-dihydropyridine-6-carbaldehyde
PubChem CID12558907
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-methyl-2,5-dihydropyridine-6-carbaldehyde
SMILESCC1C=CCC(C=O)=N1
InChIInChI=1S/C7H9NO/c1-6-3-2-4-7(5-9)8-6/h2-3,5-6H,4H2,1H3
InChIKeyJZHGVQFDUCMTBB-UHFFFAOYSA-N
XLogP0.97
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methyl-2,5-dihydropyridine-6-carbaldehyde?
The IUPAC name of 2-methyl-2,5-dihydropyridine-6-carbaldehyde (CID 12558907) is 2-methyl-2,5-dihydropyridine-6-carbaldehyde.
What is the SMILES notation for 2-methyl-2,5-dihydropyridine-6-carbaldehyde?
The canonical SMILES for 2-methyl-2,5-dihydropyridine-6-carbaldehyde is CC1C=CCC(C=O)=N1.
What is the InChIKey of 2-methyl-2,5-dihydropyridine-6-carbaldehyde?
The InChIKey is JZHGVQFDUCMTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6-3-2-4-7(5-9)8-6/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-methyl-2,5-dihydropyridine-6-carbaldehyde?
2-methyl-2,5-dihydropyridine-6-carbaldehyde has a molecular weight of 123.15 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,5-dihydropyridine-6-carbaldehyde is sourced from PubChem (CID 12558907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).