3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one

C10H15N3O2 — CID 138002181

IUPAC3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC[C@H]2CO)c1=O
InChIInChI=1S/C10H15N3O2/c1-12-6-4-11-9(10(12)15)13-5-2-3-8(13)7-14/h4,6,8,14H,2-3,5,7H2,1H3/t8-/m0/s1
InChIKeyHMSRCMIFFPPSPN-QMMMGPOBSA-N
MW209.25 g/mol
LogP-0.26
Rot. Bonds2

About 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one

3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 138002181) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
PubChem CID138002181
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC[C@H]2CO)c1=O
InChIInChI=1S/C10H15N3O2/c1-12-6-4-11-9(10(12)15)13-5-2-3-8(13)7-14/h4,6,8,14H,2-3,5,7H2,1H3/t8-/m0/s1
InChIKeyHMSRCMIFFPPSPN-QMMMGPOBSA-N
XLogP-0.26
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(chloromethyl)azepan-1-yl]-1-methylpyrazin-2-one
CID 116638887
[1-(1-methylimidazol-2-yl)piperidin-2-yl]methanol
CID 62133846
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61409552
[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol;hydrochloride
CID 121020669
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 106876337
1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one
CID 62929202
[1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]methanol
CID 104733050
3-[2-(bromomethyl)pyrrolidin-1-yl]-1-tert-butylpyrazin-2-one
CID 80667305
[1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 61411243
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one
CID 63759679

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one (CID 138002181) is 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC[C@H]2CO)c1=O.
What is the InChIKey of 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is HMSRCMIFFPPSPN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-6-4-11-9(10(12)15)13-5-2-3-8(13)7-14/h4,6,8,14H,2-3,5,7H2,1H3/t8-/m0/s1.
What are the key properties of 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one?
3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 138002181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).