1-[(1S)-1-phenylethoxy]pyridin-2-one

C13H13NO2 — CID 15939327

IUPAC1-[(1S)-1-phenylethoxy]pyridin-2-one
SMILESC[C@H](On1ccccc1=O)c1ccccc1
InChIInChI=1S/C13H13NO2/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h2-11H,1H3/t11-/m0/s1
InChIKeyOPHNZCDGUDPQIO-NSHDSACASA-N
MW215.25 g/mol
LogP2.04
Rot. Bonds3

About 1-[(1S)-1-phenylethoxy]pyridin-2-one

1-[(1S)-1-phenylethoxy]pyridin-2-one (PubChem CID 15939327) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[(1S)-1-phenylethoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-phenylethoxy]pyridin-2-one
PubChem CID15939327
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-[(1S)-1-phenylethoxy]pyridin-2-one
SMILESC[C@H](On1ccccc1=O)c1ccccc1
InChIInChI=1S/C13H13NO2/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h2-11H,1H3/t11-/m0/s1
InChIKeyOPHNZCDGUDPQIO-NSHDSACASA-N
XLogP2.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylethoxy]pyridin-2-one?
The IUPAC name of 1-[(1S)-1-phenylethoxy]pyridin-2-one (CID 15939327) is 1-[(1S)-1-phenylethoxy]pyridin-2-one.
What is the SMILES notation for 1-[(1S)-1-phenylethoxy]pyridin-2-one?
The canonical SMILES for 1-[(1S)-1-phenylethoxy]pyridin-2-one is C[C@H](On1ccccc1=O)c1ccccc1.
What is the InChIKey of 1-[(1S)-1-phenylethoxy]pyridin-2-one?
The InChIKey is OPHNZCDGUDPQIO-NSHDSACASA-N. The full InChI is InChI=1S/C13H13NO2/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h2-11H,1H3/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-phenylethoxy]pyridin-2-one?
1-[(1S)-1-phenylethoxy]pyridin-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylethoxy]pyridin-2-one is sourced from PubChem (CID 15939327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).