6-propyl-3H-pyridin-4-one

C8H11NO — CID 70376738

IUPAC6-propyl-3H-pyridin-4-one
SMILESCCCC1=CC(=O)CC=N1
InChIInChI=1S/C8H11NO/c1-2-3-7-6-8(10)4-5-9-7/h5-6H,2-4H2,1H3
InChIKeyAMUZYRGWJVYSGZ-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.71
Rot. Bonds2

About 6-propyl-3H-pyridin-4-one

6-propyl-3H-pyridin-4-one (PubChem CID 70376738) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 6-propyl-3H-pyridin-4-one.

Molecular Properties

Compound Name6-propyl-3H-pyridin-4-one
PubChem CID70376738
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name6-propyl-3H-pyridin-4-one
SMILESCCCC1=CC(=O)CC=N1
InChIInChI=1S/C8H11NO/c1-2-3-7-6-8(10)4-5-9-7/h5-6H,2-4H2,1H3
InChIKeyAMUZYRGWJVYSGZ-UHFFFAOYSA-N
XLogP1.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-3H-pyridin-4-one?
The IUPAC name of 6-propyl-3H-pyridin-4-one (CID 70376738) is 6-propyl-3H-pyridin-4-one.
What is the SMILES notation for 6-propyl-3H-pyridin-4-one?
The canonical SMILES for 6-propyl-3H-pyridin-4-one is CCCC1=CC(=O)CC=N1.
What is the InChIKey of 6-propyl-3H-pyridin-4-one?
The InChIKey is AMUZYRGWJVYSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-7-6-8(10)4-5-9-7/h5-6H,2-4H2,1H3.
What are the key properties of 6-propyl-3H-pyridin-4-one?
6-propyl-3H-pyridin-4-one has a molecular weight of 137.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-3H-pyridin-4-one is sourced from PubChem (CID 70376738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).