5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one

C10H14N2O3 — CID 144823607

IUPAC5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one
SMILESCc1nc([C@H]2CC[C@@H](CO)O2)c[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-6-10(14)11-4-8(12-6)9-3-2-7(5-13)15-9/h4,7,9,13H,2-3,5H2,1H3,(H,11,14)/t7-,9+/m0/s1
InChIKeyMBRGPHURXWFOEX-IONNQARKSA-N
MW210.23 g/mol
LogP0.29
Rot. Bonds2

About 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one

5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one (PubChem CID 144823607) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one
PubChem CID144823607
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one
SMILESCc1nc([C@H]2CC[C@@H](CO)O2)c[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-6-10(14)11-4-8(12-6)9-3-2-7(5-13)15-9/h4,7,9,13H,2-3,5H2,1H3,(H,11,14)/t7-,9+/m0/s1
InChIKeyMBRGPHURXWFOEX-IONNQARKSA-N
XLogP0.29
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one?
The IUPAC name of 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one (CID 144823607) is 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one?
The canonical SMILES for 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one is Cc1nc([C@H]2CC[C@@H](CO)O2)c[nH]c1=O.
What is the InChIKey of 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one?
The InChIKey is MBRGPHURXWFOEX-IONNQARKSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-10(14)11-4-8(12-6)9-3-2-7(5-13)15-9/h4,7,9,13H,2-3,5H2,1H3,(H,11,14)/t7-,9+/m0/s1.
What are the key properties of 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one?
5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one has a molecular weight of 210.23 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 144823607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).