1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one

C13H19N3O2 — CID 115917389

IUPAC1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one
SMILESO=c1c(N2CCC(CCO)C2)nccn1C1CC1
InChIInChI=1S/C13H19N3O2/c17-8-4-10-3-6-15(9-10)12-13(18)16(7-5-14-12)11-1-2-11/h5,7,10-11,17H,1-4,6,8-9H2
InChIKeyRRKRDXXUYMDQBN-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.79
Rot. Bonds4

About 1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one

1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one (PubChem CID 115917389) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one
PubChem CID115917389
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one
SMILESO=c1c(N2CCC(CCO)C2)nccn1C1CC1
InChIInChI=1S/C13H19N3O2/c17-8-4-10-3-6-15(9-10)12-13(18)16(7-5-14-12)11-1-2-11/h5,7,10-11,17H,1-4,6,8-9H2
InChIKeyRRKRDXXUYMDQBN-UHFFFAOYSA-N
XLogP0.79
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 177664960
N-ethyl-2-[3-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-N-propan-2-ylacetamide
CID 177665246
3-[4-(Hydroxymethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 55155467
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one
CID 55155850
3-[3-(Hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 55156425
1-Cyclopropyl-3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one
CID 55156427
1-Cyclopropyl-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyrazin-2-one
CID 55156621
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 62927463
1-Ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 62927464
1-Cyclopropyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 62927636
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 62927637
1-Tert-butyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 62927804

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one (CID 115917389) is 1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one is O=c1c(N2CCC(CCO)C2)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one?
The InChIKey is RRKRDXXUYMDQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-8-4-10-3-6-15(9-10)12-13(18)16(7-5-14-12)11-1-2-11/h5,7,10-11,17H,1-4,6,8-9H2.
What are the key properties of 1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one?
1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 115917389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).