3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one

C10H12N2O — CID 118303362

IUPAC3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C1=CCNCC1
InChIInChI=1S/C10H12N2O/c13-10-9(2-1-5-12-10)8-3-6-11-7-4-8/h1-3,5,11H,4,6-7H2,(H,12,13)
InChIKeyYRZJULIFJCAJOH-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.75
Rot. Bonds1

About 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one (PubChem CID 118303362) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one
PubChem CID118303362
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C1=CCNCC1
InChIInChI=1S/C10H12N2O/c13-10-9(2-1-5-12-10)8-3-6-11-7-4-8/h1-3,5,11H,4,6-7H2,(H,12,13)
InChIKeyYRZJULIFJCAJOH-UHFFFAOYSA-N
XLogP0.75
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one (CID 118303362) is 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one is O=c1[nH]cccc1C1=CCNCC1.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one?
The InChIKey is YRZJULIFJCAJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-10-9(2-1-5-12-10)8-3-6-11-7-4-8/h1-3,5,11H,4,6-7H2,(H,12,13).
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one?
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one has a molecular weight of 176.22 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 118303362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).