ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one

C14H25NO2 — CID 178099126

IUPACethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one
SMILESCC.CCOCCn1cccc(C(C)C)c1=O
InChIInChI=1S/C12H19NO2.C2H6/c1-4-15-9-8-13-7-5-6-11(10(2)3)12(13)14;1-2/h5-7,10H,4,8-9H2,1-3H3;1-2H3
InChIKeyVYSIZRJCPSDGBM-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.03
Rot. Bonds5

About ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one

ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one (PubChem CID 178099126) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Nameethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one
PubChem CID178099126
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one
SMILESCC.CCOCCn1cccc(C(C)C)c1=O
InChIInChI=1S/C12H19NO2.C2H6/c1-4-15-9-8-13-7-5-6-11(10(2)3)12(13)14;1-2/h5-7,10H,4,8-9H2,1-3H3;1-2H3
InChIKeyVYSIZRJCPSDGBM-UHFFFAOYSA-N
XLogP3.03
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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 ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one?
The IUPAC name of ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one (CID 178099126) is ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one?
The canonical SMILES for ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one is CC.CCOCCn1cccc(C(C)C)c1=O.
What is the InChIKey of ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one?
The InChIKey is VYSIZRJCPSDGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.C2H6/c1-4-15-9-8-13-7-5-6-11(10(2)3)12(13)14;1-2/h5-7,10H,4,8-9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one?
ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one has a molecular weight of 239.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 178099126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).