1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde

C13H15NO — CID 11298602

IUPAC1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde
SMILESO=CC1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H15NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-6,11H,7-10H2
InChIKeyVQMWEQIVPYSFPO-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.02
Rot. Bonds3

About 1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde

1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde (PubChem CID 11298602) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde
PubChem CID11298602
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde
SMILESO=CC1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H15NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-6,11H,7-10H2
InChIKeyVQMWEQIVPYSFPO-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
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 1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde?
The IUPAC name of 1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde (CID 11298602) is 1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde.
What is the SMILES notation for 1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde?
The canonical SMILES for 1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde is O=CC1=CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde?
The InChIKey is VQMWEQIVPYSFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-6,11H,7-10H2.
What are the key properties of 1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde?
1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde has a molecular weight of 201.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,6-dihydro-2H-pyridine-4-carbaldehyde is sourced from PubChem (CID 11298602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).