6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde

C7H11NO — CID 57223554

IUPAC6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde
SMILESCC1NCCC=C1C=O
InChIInChI=1S/C7H11NO/c1-6-7(5-9)3-2-4-8-6/h3,5-6,8H,2,4H2,1H3
InChIKeyKNPCRATWKIBOFQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.49
Rot. Bonds1

About 6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde

6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde (PubChem CID 57223554) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde.

Molecular Properties

Compound Name6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde
PubChem CID57223554
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde
SMILESCC1NCCC=C1C=O
InChIInChI=1S/C7H11NO/c1-6-7(5-9)3-2-4-8-6/h3,5-6,8H,2,4H2,1H3
InChIKeyKNPCRATWKIBOFQ-UHFFFAOYSA-N
XLogP0.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.49
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 6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde?
The IUPAC name of 6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde (CID 57223554) is 6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde.
What is the SMILES notation for 6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde?
The canonical SMILES for 6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde is CC1NCCC=C1C=O.
What is the InChIKey of 6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde?
The InChIKey is KNPCRATWKIBOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-7(5-9)3-2-4-8-6/h3,5-6,8H,2,4H2,1H3.
What are the key properties of 6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde?
6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde has a molecular weight of 125.17 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde is sourced from PubChem (CID 57223554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).