3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one

C11H12N2O — CID 175996979

IUPAC3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one
SMILESCn1cccc(C2=CCCN=C2)c1=O
InChIInChI=1S/C11H12N2O/c1-13-7-3-5-10(11(13)14)9-4-2-6-12-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyXGACWLUUFFPBRU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.24
Rot. Bonds1

About 3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one

3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one (PubChem CID 175996979) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one
PubChem CID175996979
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one
SMILESCn1cccc(C2=CCCN=C2)c1=O
InChIInChI=1S/C11H12N2O/c1-13-7-3-5-10(11(13)14)9-4-2-6-12-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyXGACWLUUFFPBRU-UHFFFAOYSA-N
XLogP1.24
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one?
The IUPAC name of 3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one (CID 175996979) is 3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one is Cn1cccc(C2=CCCN=C2)c1=O.
What is the InChIKey of 3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one?
The InChIKey is XGACWLUUFFPBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-13-7-3-5-10(11(13)14)9-4-2-6-12-8-9/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one?
3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydropyridin-5-yl)-1-methylpyridin-2-one is sourced from PubChem (CID 175996979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).