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

C5H7NO — CID 14384412

IUPAC4,5-dihydro-3H-pyridin-2-one
SMILESO=C1CCCC=N1
InChIInChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h4H,1-3H2
InChIKeyOXMKNUCRSLQWMI-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.77
Rot. Bonds

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

4,5-dihydro-3H-pyridin-2-one (PubChem CID 14384412) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 4,5-dihydro-3H-pyridin-2-one.

Molecular Properties

Compound Name4,5-dihydro-3H-pyridin-2-one
PubChem CID14384412
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name4,5-dihydro-3H-pyridin-2-one
SMILESO=C1CCCC=N1
InChIInChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h4H,1-3H2
InChIKeyOXMKNUCRSLQWMI-UHFFFAOYSA-N
XLogP0.77
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-3H-pyridin-2-one?
The IUPAC name of 4,5-dihydro-3H-pyridin-2-one (CID 14384412) is 4,5-dihydro-3H-pyridin-2-one.
What is the SMILES notation for 4,5-dihydro-3H-pyridin-2-one?
The canonical SMILES for 4,5-dihydro-3H-pyridin-2-one is O=C1CCCC=N1.
What is the InChIKey of 4,5-dihydro-3H-pyridin-2-one?
The InChIKey is OXMKNUCRSLQWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h4H,1-3H2.
What are the key properties of 4,5-dihydro-3H-pyridin-2-one?
4,5-dihydro-3H-pyridin-2-one has a molecular weight of 97.12 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-3H-pyridin-2-one is sourced from PubChem (CID 14384412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).