1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone

C12H13NO2 — CID 125480249

IUPAC1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC[C@H]1c1ccccn1
InChIInChI=1S/C12H13NO2/c1-8(14)12-9(2)15-7-10(12)11-5-3-4-6-13-11/h3-6,10H,7H2,1-2H3/t10-/m0/s1
InChIKeySSUUEODWOYUQAD-JTQLQIEISA-N
MW203.24 g/mol
LogP2.06
Rot. Bonds2

About 1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone

1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone (PubChem CID 125480249) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone
PubChem CID125480249
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC[C@H]1c1ccccn1
InChIInChI=1S/C12H13NO2/c1-8(14)12-9(2)15-7-10(12)11-5-3-4-6-13-11/h3-6,10H,7H2,1-2H3/t10-/m0/s1
InChIKeySSUUEODWOYUQAD-JTQLQIEISA-N
XLogP2.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone?
The IUPAC name of 1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone (CID 125480249) is 1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone.
What is the SMILES notation for 1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone?
The canonical SMILES for 1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone is CC(=O)C1=C(C)OC[C@H]1c1ccccn1.
What is the InChIKey of 1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone?
The InChIKey is SSUUEODWOYUQAD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(14)12-9(2)15-7-10(12)11-5-3-4-6-13-11/h3-6,10H,7H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone?
1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone has a molecular weight of 203.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5-methyl-3-pyridin-2-yl-2,3-dihydrofuran-4-yl]ethanone is sourced from PubChem (CID 125480249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).