1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone

C9H13NO — CID 102578799

IUPAC1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone
SMILESCC[C@H]1C=CC=CN1C(C)=O
InChIInChI=1S/C9H13NO/c1-3-9-6-4-5-7-10(9)8(2)11/h4-7,9H,3H2,1-2H3/t9-/m0/s1
InChIKeyYHLHNCZWGYNJJN-VIFPVBQESA-N
MW151.21 g/mol
LogP1.70
Rot. Bonds1

About 1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone

1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone (PubChem CID 102578799) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone
PubChem CID102578799
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone
SMILESCC[C@H]1C=CC=CN1C(C)=O
InChIInChI=1S/C9H13NO/c1-3-9-6-4-5-7-10(9)8(2)11/h4-7,9H,3H2,1-2H3/t9-/m0/s1
InChIKeyYHLHNCZWGYNJJN-VIFPVBQESA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone (CID 102578799) is 1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone is CC[C@H]1C=CC=CN1C(C)=O.
What is the InChIKey of 1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone?
The InChIKey is YHLHNCZWGYNJJN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13NO/c1-3-9-6-4-5-7-10(9)8(2)11/h4-7,9H,3H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone?
1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 102578799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).