6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde

C9H13NO — CID 143649929

IUPAC6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde
SMILESCCC1=CC(C=O)=CC(C)N1
InChIInChI=1S/C9H13NO/c1-3-9-5-8(6-11)4-7(2)10-9/h4-7,10H,3H2,1-2H3
InChIKeyJHTPCSWEMYZJAT-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds2

About 6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde

6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde (PubChem CID 143649929) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde.

Molecular Properties

Compound Name6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde
PubChem CID143649929
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde
SMILESCCC1=CC(C=O)=CC(C)N1
InChIInChI=1S/C9H13NO/c1-3-9-5-8(6-11)4-7(2)10-9/h4-7,10H,3H2,1-2H3
InChIKeyJHTPCSWEMYZJAT-UHFFFAOYSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethane;2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
CID 164602671
Ethane;6-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
CID 164602785
6-Fluoro-4-(methylamino)cyclohepta-1,3,6-triene-1-carbaldehyde
CID 143545281
6-(Trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
CID 164602786
6-Propa-1,2-dienyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde
CID 57073518
6-Methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde
CID 57223554
4-(Methylamino)cyclohexa-1,5-diene-1-carbaldehyde
CID 89574648
6-Methyl-1,2-dihydropyridine-3-carbaldehyde
CID 89738424
(3Z)-5-(2-aminoethylamino)-2-methylidenehexa-3,5-dienal
CID 117622492
1,8a-Dihydroquinoline-6-carbaldehyde
CID 118964603
7-(Propylamino)cyclohepta-1,3,6-triene-1-carbaldehyde
CID 135129007
6-[(1Z,3E)-1-amino-3-formylpenta-1,3-dienyl]-2-(6-methylcyclohepta-1,6-dien-1-yl)-1,2-dihydropyridine-4-carbaldehyde
CID 138509591

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde?
The IUPAC name of 6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde (CID 143649929) is 6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde.
What is the SMILES notation for 6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde?
The canonical SMILES for 6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde is CCC1=CC(C=O)=CC(C)N1.
What is the InChIKey of 6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde?
The InChIKey is JHTPCSWEMYZJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-9-5-8(6-11)4-7(2)10-9/h4-7,10H,3H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde?
6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde has a molecular weight of 151.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-1,2-dihydropyridine-4-carbaldehyde is sourced from PubChem (CID 143649929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).