ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one

C13H22N2O2 — CID 142523513

IUPACethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one
SMILESCC.CNc1cccn(C2CCOCC2)c1=O
InChIInChI=1S/C11H16N2O2.C2H6/c1-12-10-3-2-6-13(11(10)14)9-4-7-15-8-5-9;1-2/h2-3,6,9,12H,4-5,7-8H2,1H3;1-2H3
InChIKeyMIBBLEDBWAYVHU-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.27
Rot. Bonds2

About ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one

ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one (PubChem CID 142523513) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one.

Molecular Properties

Compound Nameethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one
PubChem CID142523513
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Nameethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one
SMILESCC.CNc1cccn(C2CCOCC2)c1=O
InChIInChI=1S/C11H16N2O2.C2H6/c1-12-10-3-2-6-13(11(10)14)9-4-7-15-8-5-9;1-2/h2-3,6,9,12H,4-5,7-8H2,1H3;1-2H3
InChIKeyMIBBLEDBWAYVHU-UHFFFAOYSA-N
XLogP2.27
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one?
The IUPAC name of ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one (CID 142523513) is ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one.
What is the SMILES notation for ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one?
The canonical SMILES for ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one is CC.CNc1cccn(C2CCOCC2)c1=O.
What is the InChIKey of ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one?
The InChIKey is MIBBLEDBWAYVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C2H6/c1-12-10-3-2-6-13(11(10)14)9-4-7-15-8-5-9;1-2/h2-3,6,9,12H,4-5,7-8H2,1H3;1-2H3.
What are the key properties of ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one?
ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one has a molecular weight of 238.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(methylamino)-1-(oxan-4-yl)pyridin-2-one is sourced from PubChem (CID 142523513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).