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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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).