1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one

C11H17NO2 — CID 178099038

IUPAC1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
SMILESCOCCn1cccc(C(C)C)c1=O
InChIInChI=1S/C11H17NO2/c1-9(2)10-5-4-6-12(11(10)13)7-8-14-3/h4-6,9H,7-8H2,1-3H3
InChIKeySOYNFXNRNCOVNW-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.62
Rot. Bonds4

About 1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one

1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one (PubChem CID 178099038) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
PubChem CID178099038
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
SMILESCOCCn1cccc(C(C)C)c1=O
InChIInChI=1S/C11H17NO2/c1-9(2)10-5-4-6-12(11(10)13)7-8-14-3/h4-6,9H,7-8H2,1-3H3
InChIKeySOYNFXNRNCOVNW-UHFFFAOYSA-N
XLogP1.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-{[ethyl(2-methylallyl)amino]methyl}-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 53191683
Ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041508
Ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041510
3-Ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041511
3-Tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041819
3-Butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one
CID 178099196
5-Fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099286
6-Fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099296
3-Butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one
CID 178099300
1-[2-(Difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one
CID 178099342
4-Fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099357
1-(2-Methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041509

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one (CID 178099038) is 1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one is COCCn1cccc(C(C)C)c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one?
The InChIKey is SOYNFXNRNCOVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(2)10-5-4-6-12(11(10)13)7-8-14-3/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one?
1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 178099038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).