3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

C18H19N3O2 — CID 71765217

IUPAC3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCN1CCC(O)(c2ccc(-c3cn4cccc4c(=O)[nH]3)cc2)C1
InChIInChI=1S/C18H19N3O2/c1-20-10-8-18(23,12-20)14-6-4-13(5-7-14)15-11-21-9-2-3-16(21)17(22)19-15/h2-7,9,11,23H,8,10,12H2,1H3,(H,19,22)
InChIKeyOSDSDGDIKPCBMS-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.82
Rot. Bonds2

About 3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 71765217) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID71765217
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCN1CCC(O)(c2ccc(-c3cn4cccc4c(=O)[nH]3)cc2)C1
InChIInChI=1S/C18H19N3O2/c1-20-10-8-18(23,12-20)14-6-4-13(5-7-14)15-11-21-9-2-3-16(21)17(22)19-15/h2-7,9,11,23H,8,10,12H2,1H3,(H,19,22)
InChIKeyOSDSDGDIKPCBMS-UHFFFAOYSA-N
XLogP1.82
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 71765217) is 3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is CN1CCC(O)(c2ccc(-c3cn4cccc4c(=O)[nH]3)cc2)C1.
What is the InChIKey of 3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is OSDSDGDIKPCBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-20-10-8-18(23,12-20)14-6-4-13(5-7-14)15-11-21-9-2-3-16(21)17(22)19-15/h2-7,9,11,23H,8,10,12H2,1H3,(H,19,22).
What are the key properties of 3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 309.37 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydroxy-1-methylpyrrolidin-3-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 71765217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).