3,4-dihydro-2H-pyridin-5-one

C5H7NO — CID 20691666

IUPAC3,4-dihydro-2H-pyridin-5-one
SMILESO=C1C=NCCC1
InChIInChI=1S/C5H7NO/c7-5-2-1-3-6-4-5/h4H,1-3H2
InChIKeyCZGFCCCBHITCHD-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.42
Rot. Bonds

About 3,4-dihydro-2H-pyridin-5-one

3,4-dihydro-2H-pyridin-5-one (PubChem CID 20691666) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyridin-5-one.

Molecular Properties

Compound Name3,4-dihydro-2H-pyridin-5-one
PubChem CID20691666
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name3,4-dihydro-2H-pyridin-5-one
SMILESO=C1C=NCCC1
InChIInChI=1S/C5H7NO/c7-5-2-1-3-6-4-5/h4H,1-3H2
InChIKeyCZGFCCCBHITCHD-UHFFFAOYSA-N
XLogP0.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyridin-5-one?
The IUPAC name of 3,4-dihydro-2H-pyridin-5-one (CID 20691666) is 3,4-dihydro-2H-pyridin-5-one.
What is the SMILES notation for 3,4-dihydro-2H-pyridin-5-one?
The canonical SMILES for 3,4-dihydro-2H-pyridin-5-one is O=C1C=NCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyridin-5-one?
The InChIKey is CZGFCCCBHITCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c7-5-2-1-3-6-4-5/h4H,1-3H2.
What are the key properties of 3,4-dihydro-2H-pyridin-5-one?
3,4-dihydro-2H-pyridin-5-one has a molecular weight of 97.12 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyridin-5-one is sourced from PubChem (CID 20691666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).