2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one

C8H13NO2 — CID 134317118

IUPAC2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one
SMILESCCCC1C=CC(=O)NC1O
InChIInChI=1S/C8H13NO2/c1-2-3-6-4-5-7(10)9-8(6)11/h4-6,8,11H,2-3H2,1H3,(H,9,10)
InChIKeyPFRGHJXVTXADEB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.41
Rot. Bonds2

About 2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one

2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 134317118) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID134317118
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one
SMILESCCCC1C=CC(=O)NC1O
InChIInChI=1S/C8H13NO2/c1-2-3-6-4-5-7(10)9-8(6)11/h4-6,8,11H,2-3H2,1H3,(H,9,10)
InChIKeyPFRGHJXVTXADEB-UHFFFAOYSA-N
XLogP0.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one (CID 134317118) is 2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one is CCCC1C=CC(=O)NC1O.
What is the InChIKey of 2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is PFRGHJXVTXADEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-6-4-5-7(10)9-8(6)11/h4-6,8,11H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one?
2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 155.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 134317118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).