4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde

C8H9NO2 — CID 12502198

IUPAC4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde
SMILESCC1C(C=O)=CNC=C1C=O
InChIInChI=1S/C8H9NO2/c1-6-7(4-10)2-9-3-8(6)5-11/h2-6,9H,1H3
InChIKeyGHUJOXJDUAROKJ-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.39
Rot. Bonds2

About 4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde

4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde (PubChem CID 12502198) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde.

Molecular Properties

Compound Name4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde
PubChem CID12502198
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde
SMILESCC1C(C=O)=CNC=C1C=O
InChIInChI=1S/C8H9NO2/c1-6-7(4-10)2-9-3-8(6)5-11/h2-6,9H,1H3
InChIKeyGHUJOXJDUAROKJ-UHFFFAOYSA-N
XLogP0.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde?
The IUPAC name of 4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde (CID 12502198) is 4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde.
What is the SMILES notation for 4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde?
The canonical SMILES for 4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde is CC1C(C=O)=CNC=C1C=O.
What is the InChIKey of 4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde?
The InChIKey is GHUJOXJDUAROKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-7(4-10)2-9-3-8(6)5-11/h2-6,9H,1H3.
What are the key properties of 4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde?
4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde has a molecular weight of 151.16 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde is sourced from PubChem (CID 12502198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).