1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one

C15H16N2O2 — CID 89479479

IUPAC1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
SMILESCC(=O)c1ccccn1.CCC(=O)c1ccccn1
InChIInChI=1S/C8H9NO.C7H7NO/c1-2-8(10)7-5-3-4-6-9-7;1-6(9)7-4-2-3-5-8-7/h3-6H,2H2,1H3;2-5H,1H3
InChIKeyZJQPLXAAQVKGCC-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.96
Rot. Bonds3

About 1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one

1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one (PubChem CID 89479479) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
PubChem CID89479479
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
SMILESCC(=O)c1ccccn1.CCC(=O)c1ccccn1
InChIInChI=1S/C8H9NO.C7H7NO/c1-2-8(10)7-5-3-4-6-9-7;1-6(9)7-4-2-3-5-8-7/h3-6H,2H2,1H3;2-5H,1H3
InChIKeyZJQPLXAAQVKGCC-UHFFFAOYSA-N
XLogP2.96
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
CID 22757609
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
1-pyridin-2-ylhexan-1-one
CID 556347
1-pyridin-2-ylethanone;quinoline
CID 175538468
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
1,3-dipyridin-2-ylpent-2-en-1-one
CID 91328700
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one (CID 89479479) is 1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one is CC(=O)c1ccccn1.CCC(=O)c1ccccn1.
What is the InChIKey of 1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one?
The InChIKey is ZJQPLXAAQVKGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C7H7NO/c1-2-8(10)7-5-3-4-6-9-7;1-6(9)7-4-2-3-5-8-7/h3-6H,2H2,1H3;2-5H,1H3.
What are the key properties of 1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one?
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one has a molecular weight of 256.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 89479479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).