1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde

C8H11NO2 — CID 23568783

IUPAC1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde
SMILESCC(=O)N1CCC=C(C=O)C1
InChIInChI=1S/C8H11NO2/c1-7(11)9-4-2-3-8(5-9)6-10/h3,6H,2,4-5H2,1H3
InChIKeyCKXNISCWKADZPQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.36
Rot. Bonds1

About 1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde

1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde (PubChem CID 23568783) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde
PubChem CID23568783
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde
SMILESCC(=O)N1CCC=C(C=O)C1
InChIInChI=1S/C8H11NO2/c1-7(11)9-4-2-3-8(5-9)6-10/h3,6H,2,4-5H2,1H3
InChIKeyCKXNISCWKADZPQ-UHFFFAOYSA-N
XLogP0.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.36
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-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde?
The IUPAC name of 1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde (CID 23568783) is 1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde.
What is the SMILES notation for 1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde?
The canonical SMILES for 1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde is CC(=O)N1CCC=C(C=O)C1.
What is the InChIKey of 1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde?
The InChIKey is CKXNISCWKADZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-7(11)9-4-2-3-8(5-9)6-10/h3,6H,2,4-5H2,1H3.
What are the key properties of 1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde?
1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde has a molecular weight of 153.18 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3,6-dihydro-2H-pyridine-5-carbaldehyde is sourced from PubChem (CID 23568783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).