6-ethenyl-2H-phthalazin-1-one

C10H8N2O — CID 86675174

IUPAC6-ethenyl-2H-phthalazin-1-one
SMILESC=Cc1ccc2c(=O)[nH]ncc2c1
InChIInChI=1S/C10H8N2O/c1-2-7-3-4-9-8(5-7)6-11-12-10(9)13/h2-6H,1H2,(H,12,13)
InChIKeyXPSZLKCDMCNDRB-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.57
Rot. Bonds1

About 6-ethenyl-2H-phthalazin-1-one

6-ethenyl-2H-phthalazin-1-one (PubChem CID 86675174) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 6-ethenyl-2H-phthalazin-1-one.

Molecular Properties

Compound Name6-ethenyl-2H-phthalazin-1-one
PubChem CID86675174
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name6-ethenyl-2H-phthalazin-1-one
SMILESC=Cc1ccc2c(=O)[nH]ncc2c1
InChIInChI=1S/C10H8N2O/c1-2-7-3-4-9-8(5-7)6-11-12-10(9)13/h2-6H,1H2,(H,12,13)
InChIKeyXPSZLKCDMCNDRB-UHFFFAOYSA-N
XLogP1.57
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2H-phthalazin-1-one?
The IUPAC name of 6-ethenyl-2H-phthalazin-1-one (CID 86675174) is 6-ethenyl-2H-phthalazin-1-one.
What is the SMILES notation for 6-ethenyl-2H-phthalazin-1-one?
The canonical SMILES for 6-ethenyl-2H-phthalazin-1-one is C=Cc1ccc2c(=O)[nH]ncc2c1.
What is the InChIKey of 6-ethenyl-2H-phthalazin-1-one?
The InChIKey is XPSZLKCDMCNDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-7-3-4-9-8(5-7)6-11-12-10(9)13/h2-6H,1H2,(H,12,13).
What are the key properties of 6-ethenyl-2H-phthalazin-1-one?
6-ethenyl-2H-phthalazin-1-one has a molecular weight of 172.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2H-phthalazin-1-one is sourced from PubChem (CID 86675174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).