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

C12H21NO2 — CID 178099105

IUPACethane;1-(2-methoxypropyl)-3-methylpyridin-2-one
SMILESCC.COC(C)Cn1cccc(C)c1=O
InChIInChI=1S/C10H15NO2.C2H6/c1-8-5-4-6-11(10(8)12)7-9(2)13-3;1-2/h4-6,9H,7H2,1-3H3;1-2H3
InChIKeyCADUCPKLSYPMDU-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.22
Rot. Bonds3

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

ethane;1-(2-methoxypropyl)-3-methylpyridin-2-one (PubChem CID 178099105) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethane;1-(2-methoxypropyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Nameethane;1-(2-methoxypropyl)-3-methylpyridin-2-one
PubChem CID178099105
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethane;1-(2-methoxypropyl)-3-methylpyridin-2-one
SMILESCC.COC(C)Cn1cccc(C)c1=O
InChIInChI=1S/C10H15NO2.C2H6/c1-8-5-4-6-11(10(8)12)7-9(2)13-3;1-2/h4-6,9H,7H2,1-3H3;1-2H3
InChIKeyCADUCPKLSYPMDU-UHFFFAOYSA-N
XLogP2.22
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

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
N-(cyclopropylmethyl)-N-(2-methoxyethyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 77091014
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
3-Methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one
CID 91651237
5-Fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-2-one
CID 99831372
3-Methyl-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
CID 116621518
5-Fluoro-1-(2-methoxyethyl)-3-methylpyridin-2-one
CID 178099195
6-Fluoro-1-(2-methoxyethyl)-3-methylpyridin-2-one
CID 178099649
1-(2-Hydroxypropyl)pyridin-2-one
CID 12440341

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxypropyl)-3-methylpyridin-2-one?
The IUPAC name of ethane;1-(2-methoxypropyl)-3-methylpyridin-2-one (CID 178099105) is ethane;1-(2-methoxypropyl)-3-methylpyridin-2-one.
What is the SMILES notation for ethane;1-(2-methoxypropyl)-3-methylpyridin-2-one?
The canonical SMILES for ethane;1-(2-methoxypropyl)-3-methylpyridin-2-one is CC.COC(C)Cn1cccc(C)c1=O.
What is the InChIKey of ethane;1-(2-methoxypropyl)-3-methylpyridin-2-one?
The InChIKey is CADUCPKLSYPMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C2H6/c1-8-5-4-6-11(10(8)12)7-9(2)13-3;1-2/h4-6,9H,7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-methoxypropyl)-3-methylpyridin-2-one?
ethane;1-(2-methoxypropyl)-3-methylpyridin-2-one has a molecular weight of 211.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxypropyl)-3-methylpyridin-2-one is sourced from PubChem (CID 178099105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).