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

C5H7NO — CID 56634477

IUPAC4,5-dihydro-2H-pyridin-3-one
SMILESO=C1CCC=NC1
InChIInChI=1S/C5H7NO/c7-5-2-1-3-6-4-5/h3H,1-2,4H2
InChIKeyBSMYFQNNSFTTMT-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.42
Rot. Bonds

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

4,5-dihydro-2H-pyridin-3-one (PubChem CID 56634477) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name4,5-dihydro-2H-pyridin-3-one
PubChem CID56634477
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name4,5-dihydro-2H-pyridin-3-one
SMILESO=C1CCC=NC1
InChIInChI=1S/C5H7NO/c7-5-2-1-3-6-4-5/h3H,1-2,4H2
InChIKeyBSMYFQNNSFTTMT-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 4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 4,5-dihydro-2H-pyridin-3-one (CID 56634477) is 4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 4,5-dihydro-2H-pyridin-3-one is O=C1CCC=NC1.
What is the InChIKey of 4,5-dihydro-2H-pyridin-3-one?
The InChIKey is BSMYFQNNSFTTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c7-5-2-1-3-6-4-5/h3H,1-2,4H2.
What are the key properties of 4,5-dihydro-2H-pyridin-3-one?
4,5-dihydro-2H-pyridin-3-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 4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 56634477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).