3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one

C9H13N3O2 — CID 103696647

IUPAC3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CC[C@@H](O)C2)c1=O
InChIInChI=1S/C9H13N3O2/c1-11-5-3-10-8(9(11)14)12-4-2-7(13)6-12/h3,5,7,13H,2,4,6H2,1H3/t7-/m1/s1
InChIKeyALYAMWGLVILGLH-SSDOTTSWSA-N
MW195.22 g/mol
LogP-0.65
Rot. Bonds1

About 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one

3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 103696647) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
PubChem CID103696647
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CC[C@@H](O)C2)c1=O
InChIInChI=1S/C9H13N3O2/c1-11-5-3-10-8(9(11)14)12-4-2-7(13)6-12/h3,5,7,13H,2,4,6H2,1H3/t7-/m1/s1
InChIKeyALYAMWGLVILGLH-SSDOTTSWSA-N
XLogP-0.65
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-[3-(chloromethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 63390246
methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
CID 79033439
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
1-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 63267799
N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide
CID 155799700
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile
CID 119103522
N-methyl-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 166605920

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one (CID 103696647) is 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CC[C@@H](O)C2)c1=O.
What is the InChIKey of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is ALYAMWGLVILGLH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11-5-3-10-8(9(11)14)12-4-2-7(13)6-12/h3,5,7,13H,2,4,6H2,1H3/t7-/m1/s1.
What are the key properties of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one?
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 195.22 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 103696647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).