1-(4-ethyl-3-pyridinyl)propan-2-one

C10H13NO — CID 83826723

IUPAC1-(4-ethyl-3-pyridinyl)propan-2-one
SMILESCCc1ccncc1CC(C)=O
InChIInChI=1S/C10H13NO/c1-3-9-4-5-11-7-10(9)6-8(2)12/h4-5,7H,3,6H2,1-2H3
InChIKeyHWZBMXCQFOTAFV-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.78
Rot. Bonds3

About 1-(4-ethyl-3-pyridinyl)propan-2-one

1-(4-ethyl-3-pyridinyl)propan-2-one (PubChem CID 83826723) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(4-ethyl-3-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(4-ethyl-3-pyridinyl)propan-2-one
PubChem CID83826723
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(4-ethyl-3-pyridinyl)propan-2-one
SMILESCCc1ccncc1CC(C)=O
InChIInChI=1S/C10H13NO/c1-3-9-4-5-11-7-10(9)6-8(2)12/h4-5,7H,3,6H2,1-2H3
InChIKeyHWZBMXCQFOTAFV-UHFFFAOYSA-N
XLogP1.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-diethylpyridine;ethane
CID 90914060
ethane;(4-ethyl-3-pyridinyl)methanol;propane
CID 142370025
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 115009240
4-[(Z)-but-2-en-2-yl]-3-ethylpyridine
CID 143124688
methyl 3-(3-ethyl-4-pyridinyl)propanoate
CID 174235269
3-bromo-4-ethylpyridine
CID 13160533
3-ethyl-N-methylpyridine-4-carboxamide
CID 130718112
4-(4-amino-3-pyridinyl)butan-2-one
CID 64522504
2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid
CID 115008844
4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine
CID 173481390
4-propylpyridine-3-carboxylic acid
CID 21413297

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-pyridinyl)propan-2-one?
The IUPAC name of 1-(4-ethyl-3-pyridinyl)propan-2-one (CID 83826723) is 1-(4-ethyl-3-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(4-ethyl-3-pyridinyl)propan-2-one?
The canonical SMILES for 1-(4-ethyl-3-pyridinyl)propan-2-one is CCc1ccncc1CC(C)=O.
What is the InChIKey of 1-(4-ethyl-3-pyridinyl)propan-2-one?
The InChIKey is HWZBMXCQFOTAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-9-4-5-11-7-10(9)6-8(2)12/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-(4-ethyl-3-pyridinyl)propan-2-one?
1-(4-ethyl-3-pyridinyl)propan-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-pyridinyl)propan-2-one is sourced from PubChem (CID 83826723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).