ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one

C11H19NO2 — CID 178099053

IUPACethane;1-(2-methoxyethyl)-3-methylpyridin-2-one
SMILESCC.COCCn1cccc(C)c1=O
InChIInChI=1S/C9H13NO2.C2H6/c1-8-4-3-5-10(9(8)11)6-7-12-2;1-2/h3-5H,6-7H2,1-2H3;1-2H3
InChIKeyGINVNLBTYTXEMI-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.83
Rot. Bonds3

About ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one

ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one (PubChem CID 178099053) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Nameethane;1-(2-methoxyethyl)-3-methylpyridin-2-one
PubChem CID178099053
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethane;1-(2-methoxyethyl)-3-methylpyridin-2-one
SMILESCC.COCCn1cccc(C)c1=O
InChIInChI=1S/C9H13NO2.C2H6/c1-8-4-3-5-10(9(8)11)6-7-12-2;1-2/h3-5H,6-7H2,1-2H3;1-2H3
InChIKeyGINVNLBTYTXEMI-UHFFFAOYSA-N
XLogP1.83
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-Methoxyethoxy)ethoxy]ethyl 2-(3-methyl-2-oxo-1-pyridinyl)acetate
CID 76321278
5-{[ethyl(2-methylallyl)amino]methyl}-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 53191683
4-(2,2-Dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one
CID 47029077
1-ethyl-4-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}pyridin-2(1H)-one
CID 70747151
N-cyclopentyl-N-(2-methoxyethyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 75460779
N-(cyclopropylmethyl)-N-(2-methoxyethyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 77091014
2-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]ethyl acetate
CID 150475288
Chloro-[2-methoxy-2-methyl-1-(2-oxopyridin-1-yl)propyl]mercury
CID 430454
(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one
CID 24899376
3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 75484380
Ethyl 2-fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetate
CID 81298513
5-Fluoro-1-(2-methoxyethyl)pyridin-2-one
CID 84314088

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one?
The IUPAC name of ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one (CID 178099053) is ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one.
What is the SMILES notation for ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one?
The canonical SMILES for ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one is CC.COCCn1cccc(C)c1=O.
What is the InChIKey of ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one?
The InChIKey is GINVNLBTYTXEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.C2H6/c1-8-4-3-5-10(9(8)11)6-7-12-2;1-2/h3-5H,6-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one?
ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one is sourced from PubChem (CID 178099053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).