5-methyl-1,2-dihydropyridine-3-carbaldehyde

C7H9NO — CID 154939826

IUPAC5-methyl-1,2-dihydropyridine-3-carbaldehyde
SMILESCC1=CNCC(C=O)=C1
InChIInChI=1S/C7H9NO/c1-6-2-7(5-9)4-8-3-6/h2-3,5,8H,4H2,1H3
InChIKeyBEEGTRUSCAJNDK-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.62
Rot. Bonds1

About 5-methyl-1,2-dihydropyridine-3-carbaldehyde

5-methyl-1,2-dihydropyridine-3-carbaldehyde (PubChem CID 154939826) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 5-methyl-1,2-dihydropyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1,2-dihydropyridine-3-carbaldehyde
PubChem CID154939826
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name5-methyl-1,2-dihydropyridine-3-carbaldehyde
SMILESCC1=CNCC(C=O)=C1
InChIInChI=1S/C7H9NO/c1-6-2-7(5-9)4-8-3-6/h2-3,5,8H,4H2,1H3
InChIKeyBEEGTRUSCAJNDK-UHFFFAOYSA-N
XLogP0.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.62
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 5-methyl-1,2-dihydropyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-1,2-dihydropyridine-3-carbaldehyde (CID 154939826) is 5-methyl-1,2-dihydropyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-1,2-dihydropyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-1,2-dihydropyridine-3-carbaldehyde is CC1=CNCC(C=O)=C1.
What is the InChIKey of 5-methyl-1,2-dihydropyridine-3-carbaldehyde?
The InChIKey is BEEGTRUSCAJNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6-2-7(5-9)4-8-3-6/h2-3,5,8H,4H2,1H3.
What are the key properties of 5-methyl-1,2-dihydropyridine-3-carbaldehyde?
5-methyl-1,2-dihydropyridine-3-carbaldehyde has a molecular weight of 123.15 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-dihydropyridine-3-carbaldehyde is sourced from PubChem (CID 154939826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).