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

C10H15N3O2 — CID 62938355

IUPAC3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCCC2CO)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
InChIKeyHMSRCMIFFPPSPN-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.26
Rot. Bonds2

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

3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 62938355) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
PubChem CID62938355
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCCC2CO)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
InChIKeyHMSRCMIFFPPSPN-UHFFFAOYSA-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-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one (CID 62938355) is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCCC2CO)c1=O.
What is the InChIKey of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is HMSRCMIFFPPSPN-UHFFFAOYSA-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.
What are the key properties of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one?
3-[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-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 62938355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).