5-(6-ethyl-3-pyridinyl)pentan-2-one

C12H17NO — CID 14347476

IUPAC5-(6-ethyl-3-pyridinyl)pentan-2-one
SMILESCCc1ccc(CCCC(C)=O)cn1
InChIInChI=1S/C12H17NO/c1-3-12-8-7-11(9-13-12)6-4-5-10(2)14/h7-9H,3-6H2,1-2H3
InChIKeyIKLSWHZHIIOVND-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.56
Rot. Bonds5

About 5-(6-ethyl-3-pyridinyl)pentan-2-one

5-(6-ethyl-3-pyridinyl)pentan-2-one (PubChem CID 14347476) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-(6-ethyl-3-pyridinyl)pentan-2-one.

Molecular Properties

Compound Name5-(6-ethyl-3-pyridinyl)pentan-2-one
PubChem CID14347476
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-(6-ethyl-3-pyridinyl)pentan-2-one
SMILESCCc1ccc(CCCC(C)=O)cn1
InChIInChI=1S/C12H17NO/c1-3-12-8-7-11(9-13-12)6-4-5-10(2)14/h7-9H,3-6H2,1-2H3
InChIKeyIKLSWHZHIIOVND-UHFFFAOYSA-N
XLogP2.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-propylpyridine
CID 23544341
1-(5-ethyl-2-pyridinyl)heptan-4-one
CID 79738865
5-(4-butylphenyl)pentan-2-one;ethane
CID 143473141
N,N-dimethyl-5-propylpyridin-2-amine;2-ethyl-5-propylpyridine
CID 142247684
methane;5-(4-methylphenyl)pentan-2-one
CID 159376155
ethane;2-(6-ethyl-3-pyridinyl)acetamide;molecular hydrogen
CID 156799245
5-phenylpentan-2-one
CID 16701
5-[4-(ethylamino)phenyl]pentan-2-one
CID 71063356
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
(E)-4-[4-[3-(5-ethyl-2-pyridinyl)propyl]phenyl]-3-methylbut-3-en-2-one;propan-2-one
CID 142872927
2-ethyl-5-(2-methylpropyl)pyridine
CID 126548709
4-(5-bromo-2-pyridinyl)butan-2-one
CID 104799733

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethyl-3-pyridinyl)pentan-2-one?
The IUPAC name of 5-(6-ethyl-3-pyridinyl)pentan-2-one (CID 14347476) is 5-(6-ethyl-3-pyridinyl)pentan-2-one.
What is the SMILES notation for 5-(6-ethyl-3-pyridinyl)pentan-2-one?
The canonical SMILES for 5-(6-ethyl-3-pyridinyl)pentan-2-one is CCc1ccc(CCCC(C)=O)cn1.
What is the InChIKey of 5-(6-ethyl-3-pyridinyl)pentan-2-one?
The InChIKey is IKLSWHZHIIOVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-12-8-7-11(9-13-12)6-4-5-10(2)14/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-(6-ethyl-3-pyridinyl)pentan-2-one?
5-(6-ethyl-3-pyridinyl)pentan-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethyl-3-pyridinyl)pentan-2-one is sourced from PubChem (CID 14347476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).