1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one

C9H13N3O — CID 130538529

IUPAC1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one
SMILESO=c1cnccn1C[C@@H]1CCCN1
InChIInChI=1S/C9H13N3O/c13-9-6-10-4-5-12(9)7-8-2-1-3-11-8/h4-6,8,11H,1-3,7H2/t8-/m0/s1
InChIKeyCDIWESYMYSQUAY-QMMMGPOBSA-N
MW179.22 g/mol
LogP-0.00
Rot. Bonds2

About 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one

1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one (PubChem CID 130538529) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one
PubChem CID130538529
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one
SMILESO=c1cnccn1C[C@@H]1CCCN1
InChIInChI=1S/C9H13N3O/c13-9-6-10-4-5-12(9)7-8-2-1-3-11-8/h4-6,8,11H,1-3,7H2/t8-/m0/s1
InChIKeyCDIWESYMYSQUAY-QMMMGPOBSA-N
XLogP-0.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one?
The IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one (CID 130538529) is 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one.
What is the SMILES notation for 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one?
The canonical SMILES for 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one is O=c1cnccn1C[C@@H]1CCCN1.
What is the InChIKey of 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one?
The InChIKey is CDIWESYMYSQUAY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-6-10-4-5-12(9)7-8-2-1-3-11-8/h4-6,8,11H,1-3,7H2/t8-/m0/s1.
What are the key properties of 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one?
1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one has a molecular weight of 179.22 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one is sourced from PubChem (CID 130538529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).