4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one

C10H16N2O2 — CID 99737491

IUPAC4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC[C@H](C)N)cc(=O)n1C
InChIInChI=1S/C10H16N2O2/c1-7(11)6-14-9-4-8(2)12(3)10(13)5-9/h4-5,7H,6,11H2,1-3H3/t7-/m0/s1
InChIKeyPLWQZCFJSWXNKW-ZETCQYMHSA-N
MW196.25 g/mol
LogP0.42
Rot. Bonds3

About 4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one

4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one (PubChem CID 99737491) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one
PubChem CID99737491
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC[C@H](C)N)cc(=O)n1C
InChIInChI=1S/C10H16N2O2/c1-7(11)6-14-9-4-8(2)12(3)10(13)5-9/h4-5,7H,6,11H2,1-3H3/t7-/m0/s1
InChIKeyPLWQZCFJSWXNKW-ZETCQYMHSA-N
XLogP0.42
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one (CID 99737491) is 4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one is Cc1cc(OC[C@H](C)N)cc(=O)n1C.
What is the InChIKey of 4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one?
The InChIKey is PLWQZCFJSWXNKW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(11)6-14-9-4-8(2)12(3)10(13)5-9/h4-5,7H,6,11H2,1-3H3/t7-/m0/s1.
What are the key properties of 4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one?
4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 99737491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).