8,8a-dihydro-2H-phthalazin-1-one

C8H8N2O — CID 67443571

IUPAC8,8a-dihydro-2H-phthalazin-1-one
SMILESO=C1NN=CC2=CC=CCC12
InChIInChI=1S/C8H8N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-3,5,7H,4H2,(H,10,11)
InChIKeyDBQYOHHKRIMIFM-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.60
Rot. Bonds

About 8,8a-dihydro-2H-phthalazin-1-one

8,8a-dihydro-2H-phthalazin-1-one (PubChem CID 67443571) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 8,8a-dihydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name8,8a-dihydro-2H-phthalazin-1-one
PubChem CID67443571
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name8,8a-dihydro-2H-phthalazin-1-one
SMILESO=C1NN=CC2=CC=CCC12
InChIInChI=1S/C8H8N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-3,5,7H,4H2,(H,10,11)
InChIKeyDBQYOHHKRIMIFM-UHFFFAOYSA-N
XLogP0.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8a-dihydro-2H-phthalazin-1-one?
The IUPAC name of 8,8a-dihydro-2H-phthalazin-1-one (CID 67443571) is 8,8a-dihydro-2H-phthalazin-1-one.
What is the SMILES notation for 8,8a-dihydro-2H-phthalazin-1-one?
The canonical SMILES for 8,8a-dihydro-2H-phthalazin-1-one is O=C1NN=CC2=CC=CCC12.
What is the InChIKey of 8,8a-dihydro-2H-phthalazin-1-one?
The InChIKey is DBQYOHHKRIMIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-3,5,7H,4H2,(H,10,11).
What are the key properties of 8,8a-dihydro-2H-phthalazin-1-one?
8,8a-dihydro-2H-phthalazin-1-one has a molecular weight of 148.16 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8a-dihydro-2H-phthalazin-1-one is sourced from PubChem (CID 67443571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).