1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one

C10H15NO — CID 129017720

IUPAC1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one
SMILESCC(=O)CN1C=CC(C)=CC1C
InChIInChI=1S/C10H15NO/c1-8-4-5-11(7-10(3)12)9(2)6-8/h4-6,9H,7H2,1-3H3
InChIKeyQFGUVEKGVYZIJL-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.74
Rot. Bonds2

About 1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one

1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one (PubChem CID 129017720) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one
PubChem CID129017720
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one
SMILESCC(=O)CN1C=CC(C)=CC1C
InChIInChI=1S/C10H15NO/c1-8-4-5-11(7-10(3)12)9(2)6-8/h4-6,9H,7H2,1-3H3
InChIKeyQFGUVEKGVYZIJL-UHFFFAOYSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetonyl-6-fluoro-2-methylpyridine
CID 139214681
1-(1-ethyl-2H-pyridin-6-yl)ethanone
CID 67134700
1-(1-methyl-2H-pyridin-6-yl)ethanone
CID 67183735
1-(1-methyl-2H-pyridin-2-yl)ethanone
CID 67183736
1-(1-prop-2-enyl-2H-pyridin-6-yl)ethanone
CID 67183818
1-(1-prop-2-enyl-2H-pyridin-2-yl)ethanone
CID 67183819
1-(1-pentyl-2H-pyridin-2-yl)ethanone
CID 69935038
1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone
CID 123318041
1-(2,3-dimethyl-2H-pyridin-1-yl)propan-2-one
CID 129017777
9-Methyl-4,9a-dihydroquinolizin-1-one
CID 140377255
1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone
CID 142300680
1-[Cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]propan-2-one;ethane
CID 143636651

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one?
The IUPAC name of 1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one (CID 129017720) is 1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one.
What is the SMILES notation for 1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one?
The canonical SMILES for 1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one is CC(=O)CN1C=CC(C)=CC1C.
What is the InChIKey of 1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one?
The InChIKey is QFGUVEKGVYZIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-4-5-11(7-10(3)12)9(2)6-8/h4-6,9H,7H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one?
1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-2H-pyridin-1-yl)propan-2-one is sourced from PubChem (CID 129017720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).