5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one

C13H18N4O2 — CID 55054148

IUPAC5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCC1C1CCCN1
InChIInChI=1S/C13H18N4O2/c18-12-8-15-10(7-16-12)13(19)17-6-2-4-11(17)9-3-1-5-14-9/h7-9,11,14H,1-6H2,(H,16,18)
InChIKeyKFBZPKUHICHZRZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.13
Rot. Bonds2

About 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one

5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one (PubChem CID 55054148) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one
PubChem CID55054148
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCC1C1CCCN1
InChIInChI=1S/C13H18N4O2/c18-12-8-15-10(7-16-12)13(19)17-6-2-4-11(17)9-3-1-5-14-9/h7-9,11,14H,1-6H2,(H,16,18)
InChIKeyKFBZPKUHICHZRZ-UHFFFAOYSA-N
XLogP0.13
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one (CID 55054148) is 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCCC1C1CCCN1.
What is the InChIKey of 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one?
The InChIKey is KFBZPKUHICHZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-12-8-15-10(7-16-12)13(19)17-6-2-4-11(17)9-3-1-5-14-9/h7-9,11,14H,1-6H2,(H,16,18).
What are the key properties of 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one?
5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 55054148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).