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

C5H7NO2 — CID 56972718

IUPAC4-hydroxy-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1C=C(O)CCN1
InChIInChI=1S/C5H7NO2/c7-4-1-2-6-5(8)3-4/h3,7H,1-2H2,(H,6,8)
InChIKeyRMFOHCYUHWRTPS-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.05
Rot. Bonds

About 4-hydroxy-2,3-dihydro-1H-pyridin-6-one

4-hydroxy-2,3-dihydro-1H-pyridin-6-one (PubChem CID 56972718) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 4-hydroxy-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-2,3-dihydro-1H-pyridin-6-one
PubChem CID56972718
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name4-hydroxy-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1C=C(O)CCN1
InChIInChI=1S/C5H7NO2/c7-4-1-2-6-5(8)3-4/h3,7H,1-2H2,(H,6,8)
InChIKeyRMFOHCYUHWRTPS-UHFFFAOYSA-N
XLogP-0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-hydroxy-2,3-dihydro-1H-pyridin-6-one (CID 56972718) is 4-hydroxy-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-hydroxy-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-hydroxy-2,3-dihydro-1H-pyridin-6-one is O=C1C=C(O)CCN1.
What is the InChIKey of 4-hydroxy-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is RMFOHCYUHWRTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-4-1-2-6-5(8)3-4/h3,7H,1-2H2,(H,6,8).
What are the key properties of 4-hydroxy-2,3-dihydro-1H-pyridin-6-one?
4-hydroxy-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 113.12 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 56972718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).