3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one

C13H21N3O2 — CID 62927637

IUPAC3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCCC2CO)c1=O
InChIInChI=1S/C13H21N3O2/c1-10(2)8-15-7-5-14-12(13(15)18)16-6-3-4-11(16)9-17/h5,7,10-11,17H,3-4,6,8-9H2,1-2H3
InChIKeyIUCRWNXTTLZLHZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.86
Rot. Bonds4

About 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one

3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62927637) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62927637
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCCC2CO)c1=O
InChIInChI=1S/C13H21N3O2/c1-10(2)8-15-7-5-14-12(13(15)18)16-6-3-4-11(16)9-17/h5,7,10-11,17H,3-4,6,8-9H2,1-2H3
InChIKeyIUCRWNXTTLZLHZ-UHFFFAOYSA-N
XLogP0.86
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.86
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-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (CID 62927637) is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(N2CCCC2CO)c1=O.
What is the InChIKey of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is IUCRWNXTTLZLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)8-15-7-5-14-12(13(15)18)16-6-3-4-11(16)9-17/h5,7,10-11,17H,3-4,6,8-9H2,1-2H3.
What are the key properties of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 0.86, 4 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-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62927637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).