5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one

C10H13N3O3 — CID 62347911

IUPAC5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCC(CO)C1
InChIInChI=1S/C10H13N3O3/c14-6-7-1-2-13(5-7)10(16)8-3-12-9(15)4-11-8/h3-4,7,14H,1-2,5-6H2,(H,12,15)
InChIKeyHWRYPNSGYCZXKM-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.78
Rot. Bonds2

About 5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one

5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 62347911) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID62347911
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCC(CO)C1
InChIInChI=1S/C10H13N3O3/c14-6-7-1-2-13(5-7)10(16)8-3-12-9(15)4-11-8/h3-4,7,14H,1-2,5-6H2,(H,12,15)
InChIKeyHWRYPNSGYCZXKM-UHFFFAOYSA-N
XLogP-0.78
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one (CID 62347911) is 5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCC(CO)C1.
What is the InChIKey of 5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is HWRYPNSGYCZXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-6-7-1-2-13(5-7)10(16)8-3-12-9(15)4-11-8/h3-4,7,14H,1-2,5-6H2,(H,12,15).
What are the key properties of 5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one?
5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 223.23 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 62347911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).