1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione

C10H15N3O2 — CID 94897848

IUPAC1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione
SMILESCn1ccn(C[C@H]2CCCN2)c(=O)c1=O
InChIInChI=1S/C10H15N3O2/c1-12-5-6-13(10(15)9(12)14)7-8-3-2-4-11-8/h5-6,8,11H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyGLXFUPQVXCPWAN-MRVPVSSYSA-N
MW209.25 g/mol
LogP-0.70
Rot. Bonds2

About 1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione

1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione (PubChem CID 94897848) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione
PubChem CID94897848
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione
SMILESCn1ccn(C[C@H]2CCCN2)c(=O)c1=O
InChIInChI=1S/C10H15N3O2/c1-12-5-6-13(10(15)9(12)14)7-8-3-2-4-11-8/h5-6,8,11H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyGLXFUPQVXCPWAN-MRVPVSSYSA-N
XLogP-0.70
TPSA56.03 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 ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione?
The IUPAC name of 1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione (CID 94897848) is 1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione is Cn1ccn(C[C@H]2CCCN2)c(=O)c1=O.
What is the InChIKey of 1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione?
The InChIKey is GLXFUPQVXCPWAN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-5-6-13(10(15)9(12)14)7-8-3-2-4-11-8/h5-6,8,11H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of 1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione?
1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione has a molecular weight of 209.25 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]pyrazine-2,3-dione is sourced from PubChem (CID 94897848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).