3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one

C12H19N3O2 — CID 62927463

IUPAC3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCCC2CO)c1=O
InChIInChI=1S/C12H19N3O2/c1-9(2)14-7-5-13-11(12(14)17)15-6-3-4-10(15)8-16/h5,7,9-10,16H,3-4,6,8H2,1-2H3
InChIKeyISGATSHPXKMTII-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.79
Rot. Bonds3

About 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one

3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one (PubChem CID 62927463) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one
PubChem CID62927463
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCCC2CO)c1=O
InChIInChI=1S/C12H19N3O2/c1-9(2)14-7-5-13-11(12(14)17)15-6-3-4-10(15)8-16/h5,7,9-10,16H,3-4,6,8H2,1-2H3
InChIKeyISGATSHPXKMTII-UHFFFAOYSA-N
XLogP0.79
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one (CID 62927463) is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(N2CCCC2CO)c1=O.
What is the InChIKey of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The InChIKey is ISGATSHPXKMTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)14-7-5-13-11(12(14)17)15-6-3-4-10(15)8-16/h5,7,9-10,16H,3-4,6,8H2,1-2H3.
What are the key properties of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one?
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62927463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).