1-pyridin-2-ylpropan-1-one

C8H9NO — CID 520574

IUPAC1-pyridin-2-ylpropan-1-one
SMILESCCC(=O)c1ccccn1
InChIInChI=1S/C8H9NO/c1-2-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKeyZHAZHKPVEROFLH-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.67
Rot. Bonds2

About 1-pyridin-2-ylpropan-1-one

1-pyridin-2-ylpropan-1-one (PubChem CID 520574) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-pyridin-2-ylpropan-1-one
PubChem CID520574
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name1-pyridin-2-ylpropan-1-one
SMILESCCC(=O)c1ccccn1
InChIInChI=1S/C8H9NO/c1-2-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKeyZHAZHKPVEROFLH-UHFFFAOYSA-N
XLogP1.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-pyridin-2-ylpropan-1-one (CID 520574) is 1-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-pyridin-2-ylpropan-1-one is CCC(=O)c1ccccn1.
What is the InChIKey of 1-pyridin-2-ylpropan-1-one?
The InChIKey is ZHAZHKPVEROFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3.
What are the key properties of 1-pyridin-2-ylpropan-1-one?
1-pyridin-2-ylpropan-1-one has a molecular weight of 135.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 520574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).