1-(3-ethyl-4-pyridinyl)ethanone

C9H11NO — CID 14863277

IUPAC1-(3-ethyl-4-pyridinyl)ethanone
SMILESCCc1cnccc1C(C)=O
InChIInChI=1S/C9H11NO/c1-3-8-6-10-5-4-9(8)7(2)11/h4-6H,3H2,1-2H3
InChIKeyDASXLYSUTRIHGW-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.85
Rot. Bonds2

About 1-(3-ethyl-4-pyridinyl)ethanone

1-(3-ethyl-4-pyridinyl)ethanone (PubChem CID 14863277) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(3-ethyl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-4-pyridinyl)ethanone
PubChem CID14863277
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-(3-ethyl-4-pyridinyl)ethanone
SMILESCCc1cnccc1C(C)=O
InChIInChI=1S/C9H11NO/c1-3-8-6-10-5-4-9(8)7(2)11/h4-6H,3H2,1-2H3
InChIKeyDASXLYSUTRIHGW-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Z)-but-2-en-2-yl]-3-ethylpyridine
CID 143124688
3-ethyl-N-methylpyridine-4-carboxamide
CID 130718112
1-[3-(azidomethyl)-4-pyridinyl]ethanone
CID 90194935
1-(4-ethyl-3-pyridinyl)propan-2-one
CID 83826723
1-(3-ethoxy-4-pyridinyl)ethanone
CID 83873268
3-acetylpyridine-4-carboxylic acid
CID 19902844
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
1-[4-(chloromethyl)-3-pyridinyl]ethanone;hydrochloride
CID 131874634
3,4-diethylpyridine;ethane
CID 90914060
1-[4-(diethylamino)-3-pyridinyl]ethanone
CID 83878130
3-(2-hydroxypropyl)pyridine-4-carboxylic acid
CID 165349315
(2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone
CID 142255618

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-pyridinyl)ethanone?
The IUPAC name of 1-(3-ethyl-4-pyridinyl)ethanone (CID 14863277) is 1-(3-ethyl-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-ethyl-4-pyridinyl)ethanone?
The canonical SMILES for 1-(3-ethyl-4-pyridinyl)ethanone is CCc1cnccc1C(C)=O.
What is the InChIKey of 1-(3-ethyl-4-pyridinyl)ethanone?
The InChIKey is DASXLYSUTRIHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-8-6-10-5-4-9(8)7(2)11/h4-6H,3H2,1-2H3.
What are the key properties of 1-(3-ethyl-4-pyridinyl)ethanone?
1-(3-ethyl-4-pyridinyl)ethanone has a molecular weight of 149.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-pyridinyl)ethanone is sourced from PubChem (CID 14863277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).