4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one

C14H23NO — CID 166080859

IUPAC4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one
SMILESCCc1c(CC)c(C(C)C)n(C)c(=O)c1C
InChIInChI=1S/C14H23NO/c1-7-11-10(5)14(16)15(6)13(9(3)4)12(11)8-2/h9H,7-8H2,1-6H3
InChIKeyRAHPZRUCIQASFP-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.94
Rot. Bonds3

About 4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one

4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one (PubChem CID 166080859) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one
PubChem CID166080859
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one
SMILESCCc1c(CC)c(C(C)C)n(C)c(=O)c1C
InChIInChI=1S/C14H23NO/c1-7-11-10(5)14(16)15(6)13(9(3)4)12(11)8-2/h9H,7-8H2,1-6H3
InChIKeyRAHPZRUCIQASFP-UHFFFAOYSA-N
XLogP2.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,5,6-Pentamethyl-2(1H)-pyridinone
CID 586035
2(1H)-Pyridinone, 1-cyclohexyl-3,4,5,6-tetramethyl-
CID 592036
2-cyclohexylidene-N,N-diethylpropanamide
CID 102303656
1,3,4-Trimethyl-5-propan-2-ylidenepyrrol-2-one
CID 20695518
1-Methyl-5,6-di(propan-2-yl)pyridin-2-one
CID 20701239
1-ethyl-2,3,5,6-tetramethyl-4-propyl-4H-azepin-7-one
CID 21050594
1-Ethyl-3,4,5,6-tetramethylpyridin-2-one
CID 22093020
1,3,4,6-Tetramethyl-5-propan-2-ylpyridin-2-one
CID 59339044
3,4,5,6-Tetramethyl-1-propan-2-ylpyridin-2-one
CID 59463801
2,3,4,5,6,7-hexamethyl-5H-cyclopenta[c]pyridin-1-one
CID 68198299
2,3,4,6,7-pentamethyl-5H-cyclopenta[c]pyridin-1-one
CID 68198341
1,1,3,4,6-Pentamethylpyridin-1-ium-2-one
CID 91373996

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one?
The IUPAC name of 4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one (CID 166080859) is 4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one is CCc1c(CC)c(C(C)C)n(C)c(=O)c1C.
What is the InChIKey of 4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one?
The InChIKey is RAHPZRUCIQASFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-7-11-10(5)14(16)15(6)13(9(3)4)12(11)8-2/h9H,7-8H2,1-6H3.
What are the key properties of 4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one?
4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one has a molecular weight of 221.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,3-dimethyl-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 166080859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).