1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde

C7H11NO — CID 88645244

IUPAC1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde
SMILESCN1CCC=CC1C=O
InChIInChI=1S/C7H11NO/c1-8-5-3-2-4-7(8)6-9/h2,4,6-7H,3,5H2,1H3
InChIKeyRONMSGBYECQNTD-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.45
Rot. Bonds1

About 1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde

1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde (PubChem CID 88645244) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde
PubChem CID88645244
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde
SMILESCN1CCC=CC1C=O
InChIInChI=1S/C7H11NO/c1-8-5-3-2-4-7(8)6-9/h2,4,6-7H,3,5H2,1H3
InChIKeyRONMSGBYECQNTD-UHFFFAOYSA-N
XLogP0.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde?
The IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde (CID 88645244) is 1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde.
What is the SMILES notation for 1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde?
The canonical SMILES for 1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde is CN1CCC=CC1C=O.
What is the InChIKey of 1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde?
The InChIKey is RONMSGBYECQNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-5-3-2-4-7(8)6-9/h2,4,6-7H,3,5H2,1H3.
What are the key properties of 1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde?
1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde has a molecular weight of 125.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6-dihydro-2H-pyridine-6-carbaldehyde is sourced from PubChem (CID 88645244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).