ethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane

C13H25NO2 — CID 153379408

IUPACethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane
SMILESCC.CCC.Cc1cccn(CCO)c1=O
InChIInChI=1S/C8H11NO2.C3H8.C2H6/c1-7-3-2-4-9(5-6-10)8(7)11;1-3-2;1-2/h2-4,10H,5-6H2,1H3;3H2,1-2H3;1-2H3
InChIKeyQTCZAXSQCLAJNX-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.59
Rot. Bonds2

About ethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane

ethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane (PubChem CID 153379408) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane.

Molecular Properties

Compound Nameethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane
PubChem CID153379408
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane
SMILESCC.CCC.Cc1cccn(CCO)c1=O
InChIInChI=1S/C8H11NO2.C3H8.C2H6/c1-7-3-2-4-9(5-6-10)8(7)11;1-3-2;1-2/h2-4,10H,5-6H2,1H3;3H2,1-2H3;1-2H3
InChIKeyQTCZAXSQCLAJNX-UHFFFAOYSA-N
XLogP2.59
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Hydroxyethyl)-1,2-dihydropyridin-2-one
CID 253137
1-(3-Hydroxypropyl)-1,2-dihydropyridin-2-one
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2-(3-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 39103283
(2E,4E)-N,N-bis(2-hydroxyethyl)hexa-2,4-dienamide
CID 44443274
1-(2-Hydroxy-2-methylpropyl)pyridin-2(1H)-one
CID 321776
Pyridonyl-ethanol
CID 22565526
1-(2-Hydroxy-1-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one
CID 134278034
N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 78855387
N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 103915334
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 107483025
N-(2-hydroxyethyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 110885955
5-Fluoro-1-(2-hydroxypropyl)pyridin-2-one
CID 130834553

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane?
The IUPAC name of ethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane (CID 153379408) is ethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane.
What is the SMILES notation for ethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane?
The canonical SMILES for ethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane is CC.CCC.Cc1cccn(CCO)c1=O.
What is the InChIKey of ethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane?
The InChIKey is QTCZAXSQCLAJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.C3H8.C2H6/c1-7-3-2-4-9(5-6-10)8(7)11;1-3-2;1-2/h2-4,10H,5-6H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane?
ethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane has a molecular weight of 227.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-hydroxyethyl)-3-methylpyridin-2-one;propane is sourced from PubChem (CID 153379408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).