5-(4-methyl-2-pyridinyl)pentan-2-one

C11H15NO — CID 15654481

IUPAC5-(4-methyl-2-pyridinyl)pentan-2-one
SMILESCC(=O)CCCc1cc(C)ccn1
InChIInChI=1S/C11H15NO/c1-9-6-7-12-11(8-9)5-3-4-10(2)13/h6-8H,3-5H2,1-2H3
InChIKeyDSPXMTVWMMICFB-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.30
Rot. Bonds4

About 5-(4-methyl-2-pyridinyl)pentan-2-one

5-(4-methyl-2-pyridinyl)pentan-2-one (PubChem CID 15654481) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-(4-methyl-2-pyridinyl)pentan-2-one.

Molecular Properties

Compound Name5-(4-methyl-2-pyridinyl)pentan-2-one
PubChem CID15654481
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-(4-methyl-2-pyridinyl)pentan-2-one
SMILESCC(=O)CCCc1cc(C)ccn1
InChIInChI=1S/C11H15NO/c1-9-6-7-12-11(8-9)5-3-4-10(2)13/h6-8H,3-5H2,1-2H3
InChIKeyDSPXMTVWMMICFB-UHFFFAOYSA-N
XLogP2.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-pyridinyl)pentan-2-one?
The IUPAC name of 5-(4-methyl-2-pyridinyl)pentan-2-one (CID 15654481) is 5-(4-methyl-2-pyridinyl)pentan-2-one.
What is the SMILES notation for 5-(4-methyl-2-pyridinyl)pentan-2-one?
The canonical SMILES for 5-(4-methyl-2-pyridinyl)pentan-2-one is CC(=O)CCCc1cc(C)ccn1.
What is the InChIKey of 5-(4-methyl-2-pyridinyl)pentan-2-one?
The InChIKey is DSPXMTVWMMICFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-6-7-12-11(8-9)5-3-4-10(2)13/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-(4-methyl-2-pyridinyl)pentan-2-one?
5-(4-methyl-2-pyridinyl)pentan-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-pyridinyl)pentan-2-one is sourced from PubChem (CID 15654481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).