3-propyl-1H-pyridin-4-one

C8H11NO — CID 146175162

IUPAC3-propyl-1H-pyridin-4-one
SMILESCCCc1c[nH]ccc1=O
InChIInChI=1S/C8H11NO/c1-2-3-7-6-9-5-4-8(7)10/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyUAFUYZFLVUEGEW-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.33
Rot. Bonds2

About 3-propyl-1H-pyridin-4-one

3-propyl-1H-pyridin-4-one (PubChem CID 146175162) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-propyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-propyl-1H-pyridin-4-one
PubChem CID146175162
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-propyl-1H-pyridin-4-one
SMILESCCCc1c[nH]ccc1=O
InChIInChI=1S/C8H11NO/c1-2-3-7-6-9-5-4-8(7)10/h4-6H,2-3H2,1H3,(H,9,10)
InChIKeyUAFUYZFLVUEGEW-UHFFFAOYSA-N
XLogP1.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1H-pyridin-4-one?
The IUPAC name of 3-propyl-1H-pyridin-4-one (CID 146175162) is 3-propyl-1H-pyridin-4-one.
What is the SMILES notation for 3-propyl-1H-pyridin-4-one?
The canonical SMILES for 3-propyl-1H-pyridin-4-one is CCCc1c[nH]ccc1=O.
What is the InChIKey of 3-propyl-1H-pyridin-4-one?
The InChIKey is UAFUYZFLVUEGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-7-6-9-5-4-8(7)10/h4-6H,2-3H2,1H3,(H,9,10).
What are the key properties of 3-propyl-1H-pyridin-4-one?
3-propyl-1H-pyridin-4-one has a molecular weight of 137.18 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1H-pyridin-4-one is sourced from PubChem (CID 146175162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).