2-pyrrolidin-3-ylphthalazin-1-one

C12H13N3O — CID 82105279

IUPAC2-pyrrolidin-3-ylphthalazin-1-one
SMILESO=c1c2ccccc2cnn1C1CCNC1
InChIInChI=1S/C12H13N3O/c16-12-11-4-2-1-3-9(11)7-14-15(12)10-5-6-13-8-10/h1-4,7,10,13H,5-6,8H2
InChIKeyRGDDBXMYLXKOQQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.93
Rot. Bonds1

About 2-pyrrolidin-3-ylphthalazin-1-one

2-pyrrolidin-3-ylphthalazin-1-one (PubChem CID 82105279) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylphthalazin-1-one.

Molecular Properties

Compound Name2-pyrrolidin-3-ylphthalazin-1-one
PubChem CID82105279
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-pyrrolidin-3-ylphthalazin-1-one
SMILESO=c1c2ccccc2cnn1C1CCNC1
InChIInChI=1S/C12H13N3O/c16-12-11-4-2-1-3-9(11)7-14-15(12)10-5-6-13-8-10/h1-4,7,10,13H,5-6,8H2
InChIKeyRGDDBXMYLXKOQQ-UHFFFAOYSA-N
XLogP0.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylphthalazin-1-one?
The IUPAC name of 2-pyrrolidin-3-ylphthalazin-1-one (CID 82105279) is 2-pyrrolidin-3-ylphthalazin-1-one.
What is the SMILES notation for 2-pyrrolidin-3-ylphthalazin-1-one?
The canonical SMILES for 2-pyrrolidin-3-ylphthalazin-1-one is O=c1c2ccccc2cnn1C1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylphthalazin-1-one?
The InChIKey is RGDDBXMYLXKOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12-11-4-2-1-3-9(11)7-14-15(12)10-5-6-13-8-10/h1-4,7,10,13H,5-6,8H2.
What are the key properties of 2-pyrrolidin-3-ylphthalazin-1-one?
2-pyrrolidin-3-ylphthalazin-1-one has a molecular weight of 215.26 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylphthalazin-1-one is sourced from PubChem (CID 82105279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).