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

C7H9NO — CID 123736453

IUPAC5-methyl-2,5-dihydropyridine-3-carbaldehyde
SMILESCC1C=NCC(C=O)=C1
InChIInChI=1S/C7H9NO/c1-6-2-7(5-9)4-8-3-6/h2-3,5-6H,4H2,1H3
InChIKeyOULMIZXMHYMLRU-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.83
Rot. Bonds1

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

5-methyl-2,5-dihydropyridine-3-carbaldehyde (PubChem CID 123736453) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 5-methyl-2,5-dihydropyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2,5-dihydropyridine-3-carbaldehyde
PubChem CID123736453
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name5-methyl-2,5-dihydropyridine-3-carbaldehyde
SMILESCC1C=NCC(C=O)=C1
InChIInChI=1S/C7H9NO/c1-6-2-7(5-9)4-8-3-6/h2-3,5-6H,4H2,1H3
InChIKeyOULMIZXMHYMLRU-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydropyridine-5-carbaldehyde
CID 53647127
1-(2,5-Dihydropyridin-3-yl)ethanone
CID 53747169
2,5-Dihydropyridine-3-carbaldehyde
CID 53847652
2-Methyl-2,3-dihydropyridine-5-carbaldehyde
CID 90785021
2-Bromo-2,5-dihydropyridine-3-carbaldehyde
CID 123529855
4-Methyl-2,5-dihydropyridine-3-carbaldehyde
CID 124005746
(E)-5-imino-2,4-dimethylpent-2-enal
CID 134394643
3,5-dimethyl-3H-pyridin-6-one
CID 139950071
(E)-2-ethyl-4-methyliminobut-2-enal
CID 143560643
3-Methyl-2,3-dihydropyridine-4-carbaldehyde
CID 163702853
2,5-Dihydropyridine-4-carbaldehyde
CID 174658894
2-Methyl-2,5-dihydropyridine-5-carbaldehyde
CID 141847005

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,5-dihydropyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-2,5-dihydropyridine-3-carbaldehyde (CID 123736453) is 5-methyl-2,5-dihydropyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-2,5-dihydropyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-2,5-dihydropyridine-3-carbaldehyde is CC1C=NCC(C=O)=C1.
What is the InChIKey of 5-methyl-2,5-dihydropyridine-3-carbaldehyde?
The InChIKey is OULMIZXMHYMLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6-2-7(5-9)4-8-3-6/h2-3,5-6H,4H2,1H3.
What are the key properties of 5-methyl-2,5-dihydropyridine-3-carbaldehyde?
5-methyl-2,5-dihydropyridine-3-carbaldehyde has a molecular weight of 123.15 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5-dihydropyridine-3-carbaldehyde is sourced from PubChem (CID 123736453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).