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

C5H7NO — CID 10898648

IUPAC3,4-dihydro-1H-pyridin-2-one
SMILESO=C1CCC=CN1
InChIInChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2,4H,1,3H2,(H,6,7)
InChIKeyZPOODPZCZLCUAN-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.41
Rot. Bonds

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

3,4-dihydro-1H-pyridin-2-one (PubChem CID 10898648) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4-dihydro-1H-pyridin-2-one
PubChem CID10898648
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name3,4-dihydro-1H-pyridin-2-one
SMILESO=C1CCC=CN1
InChIInChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2,4H,1,3H2,(H,6,7)
InChIKeyZPOODPZCZLCUAN-UHFFFAOYSA-N
XLogP0.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 3,4-dihydro-1H-pyridin-2-one (CID 10898648) is 3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 3,4-dihydro-1H-pyridin-2-one is O=C1CCC=CN1.
What is the InChIKey of 3,4-dihydro-1H-pyridin-2-one?
The InChIKey is ZPOODPZCZLCUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2,4H,1,3H2,(H,6,7).
What are the key properties of 3,4-dihydro-1H-pyridin-2-one?
3,4-dihydro-1H-pyridin-2-one has a molecular weight of 97.12 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 10898648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).