ethane;1-[(3-methylphenyl)methoxy]pyridin-2-one

C17H25NO2 — CID 143413391

IUPACethane;1-[(3-methylphenyl)methoxy]pyridin-2-one
SMILESCC.CC.Cc1cccc(COn2ccccc2=O)c1
InChIInChI=1S/C13H13NO2.2C2H6/c1-11-5-4-6-12(9-11)10-16-14-8-3-2-7-13(14)15;2*1-2/h2-9H,10H2,1H3;2*1-2H3
InChIKeyNRASJPDGWGOWEJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.84
Rot. Bonds3

About ethane;1-[(3-methylphenyl)methoxy]pyridin-2-one

ethane;1-[(3-methylphenyl)methoxy]pyridin-2-one (PubChem CID 143413391) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethane;1-[(3-methylphenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Nameethane;1-[(3-methylphenyl)methoxy]pyridin-2-one
PubChem CID143413391
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethane;1-[(3-methylphenyl)methoxy]pyridin-2-one
SMILESCC.CC.Cc1cccc(COn2ccccc2=O)c1
InChIInChI=1S/C13H13NO2.2C2H6/c1-11-5-4-6-12(9-11)10-16-14-8-3-2-7-13(14)15;2*1-2/h2-9H,10H2,1H3;2*1-2H3
InChIKeyNRASJPDGWGOWEJ-UHFFFAOYSA-N
XLogP3.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3-methylphenyl)methoxy]pyridin-2-one?
The IUPAC name of ethane;1-[(3-methylphenyl)methoxy]pyridin-2-one (CID 143413391) is ethane;1-[(3-methylphenyl)methoxy]pyridin-2-one.
What is the SMILES notation for ethane;1-[(3-methylphenyl)methoxy]pyridin-2-one?
The canonical SMILES for ethane;1-[(3-methylphenyl)methoxy]pyridin-2-one is CC.CC.Cc1cccc(COn2ccccc2=O)c1.
What is the InChIKey of ethane;1-[(3-methylphenyl)methoxy]pyridin-2-one?
The InChIKey is NRASJPDGWGOWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.2C2H6/c1-11-5-4-6-12(9-11)10-16-14-8-3-2-7-13(14)15;2*1-2/h2-9H,10H2,1H3;2*1-2H3.
What are the key properties of ethane;1-[(3-methylphenyl)methoxy]pyridin-2-one?
ethane;1-[(3-methylphenyl)methoxy]pyridin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3-methylphenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 143413391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).