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

C12H21NO2 — CID 178098992

IUPACethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one
SMILESCC.CCOCCn1cccc(C)c1=O
InChIInChI=1S/C10H15NO2.C2H6/c1-3-13-8-7-11-6-4-5-9(2)10(11)12;1-2/h4-6H,3,7-8H2,1-2H3;1-2H3
InChIKeyAGJRTFOZYIDLPJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.22
Rot. Bonds4

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

ethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one (PubChem CID 178098992) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Nameethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one
PubChem CID178098992
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one
SMILESCC.CCOCCn1cccc(C)c1=O
InChIInChI=1S/C10H15NO2.C2H6/c1-3-13-8-7-11-6-4-5-9(2)10(11)12;1-2/h4-6H,3,7-8H2,1-2H3;1-2H3
InChIKeyAGJRTFOZYIDLPJ-UHFFFAOYSA-N
XLogP2.22
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.22
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

(E)-4-(2-Methyl-1-oxo-2-butenyl)morpholine
CID 5325335
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-(cyclopropylmethyl)-N-(2-methoxyethyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 77091014
(2-Oxo-3-trifluoromethyl-2H-pyridin-1-yl)-acetic acid ethyl ester
CID 68405725
2-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]ethyl acetate
CID 150475288
Ethyl 2-[3-(difluoromethyl)-2-oxo-1-pyridinyl]acetate
CID 176032450
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

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one?
The IUPAC name of ethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one (CID 178098992) is ethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one.
What is the SMILES notation for ethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one?
The canonical SMILES for ethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one is CC.CCOCCn1cccc(C)c1=O.
What is the InChIKey of ethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one?
The InChIKey is AGJRTFOZYIDLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C2H6/c1-3-13-8-7-11-6-4-5-9(2)10(11)12;1-2/h4-6H,3,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one?
ethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one has a molecular weight of 211.30 g/mol, XLogP of 2.22, 4 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-methylpyridin-2-one is sourced from PubChem (CID 178098992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).