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

C5H7NO — CID 6453994

IUPAC2,3-dihydro-1H-pyridin-6-one
SMILESO=C1C=CCCN1
InChIInChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1,3H,2,4H2,(H,6,7)
InChIKeyOXRRHYRRQWIHIV-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.06
Rot. Bonds

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

2,3-dihydro-1H-pyridin-6-one (PubChem CID 6453994) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name2,3-dihydro-1H-pyridin-6-one
PubChem CID6453994
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name2,3-dihydro-1H-pyridin-6-one
SMILESO=C1C=CCCN1
InChIInChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1,3H,2,4H2,(H,6,7)
InChIKeyOXRRHYRRQWIHIV-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 2,3-dihydro-1H-pyridin-6-one (CID 6453994) is 2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 2,3-dihydro-1H-pyridin-6-one is O=C1C=CCCN1.
What is the InChIKey of 2,3-dihydro-1H-pyridin-6-one?
The InChIKey is OXRRHYRRQWIHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1,3H,2,4H2,(H,6,7).
What are the key properties of 2,3-dihydro-1H-pyridin-6-one?
2,3-dihydro-1H-pyridin-6-one has a molecular weight of 97.12 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 6453994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).