1-(5-methyl-2-pyridinyl)propan-2-one

C9H11NO — CID 18667546

IUPAC1-(5-methyl-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ccc(C)cn1
InChIInChI=1S/C9H11NO/c1-7-3-4-9(10-6-7)5-8(2)11/h3-4,6H,5H2,1-2H3
InChIKeyIHWRVCONMXLQQT-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.52
Rot. Bonds2

About 1-(5-methyl-2-pyridinyl)propan-2-one

1-(5-methyl-2-pyridinyl)propan-2-one (PubChem CID 18667546) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)propan-2-one
PubChem CID18667546
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-(5-methyl-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ccc(C)cn1
InChIInChI=1S/C9H11NO/c1-7-3-4-9(10-6-7)5-8(2)11/h3-4,6H,5H2,1-2H3
InChIKeyIHWRVCONMXLQQT-UHFFFAOYSA-N
XLogP1.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-(5-methyl-2-pyridinyl)propan-2-one (CID 18667546) is 1-(5-methyl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)propan-2-one is CC(=O)Cc1ccc(C)cn1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)propan-2-one?
The InChIKey is IHWRVCONMXLQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-3-4-9(10-6-7)5-8(2)11/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-(5-methyl-2-pyridinyl)propan-2-one?
1-(5-methyl-2-pyridinyl)propan-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 18667546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).