3-benzyl-2H-phthalazine-1,4-dione

C15H12N2O2 — CID 582530

IUPAC3-benzyl-2H-phthalazine-1,4-dione
SMILESO=c1[nH]n(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C15H12N2O2/c18-14-12-8-4-5-9-13(12)15(19)17(16-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,18)
InChIKeyRKOOIIAURSVDRU-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.74
Rot. Bonds2

About 3-benzyl-2H-phthalazine-1,4-dione

3-benzyl-2H-phthalazine-1,4-dione (PubChem CID 582530) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-benzyl-2H-phthalazine-1,4-dione.

Molecular Properties

Compound Name3-benzyl-2H-phthalazine-1,4-dione
PubChem CID582530
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-benzyl-2H-phthalazine-1,4-dione
SMILESO=c1[nH]n(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C15H12N2O2/c18-14-12-8-4-5-9-13(12)15(19)17(16-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,18)
InChIKeyRKOOIIAURSVDRU-UHFFFAOYSA-N
XLogP1.74
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2H-phthalazine-1,4-dione?
The IUPAC name of 3-benzyl-2H-phthalazine-1,4-dione (CID 582530) is 3-benzyl-2H-phthalazine-1,4-dione.
What is the SMILES notation for 3-benzyl-2H-phthalazine-1,4-dione?
The canonical SMILES for 3-benzyl-2H-phthalazine-1,4-dione is O=c1[nH]n(Cc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 3-benzyl-2H-phthalazine-1,4-dione?
The InChIKey is RKOOIIAURSVDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14-12-8-4-5-9-13(12)15(19)17(16-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,18).
What are the key properties of 3-benzyl-2H-phthalazine-1,4-dione?
3-benzyl-2H-phthalazine-1,4-dione has a molecular weight of 252.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2H-phthalazine-1,4-dione is sourced from PubChem (CID 582530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).