benzo[e]perimidin-7-one

C15H8N2O — CID 964647

IUPACbenzo[e]perimidin-7-one
SMILESO=C1c2ccccc2-c2ncnc3cccc1c23
InChIInChI=1S/C15H8N2O/c18-15-10-5-2-1-4-9(10)14-13-11(15)6-3-7-12(13)16-8-17-14/h1-8H
InChIKeyWWXLKPRGAXWHFO-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.84
Rot. Bonds

About benzo[e]perimidin-7-one

benzo[e]perimidin-7-one (PubChem CID 964647) has the molecular formula C15H8N2O and a molecular weight of 232.24 g/mol. Its IUPAC name is benzo[e]perimidin-7-one.

Molecular Properties

Compound Namebenzo[e]perimidin-7-one
PubChem CID964647
Molecular FormulaC15H8N2O
Molecular Weight232.24 g/mol
Exact Mass232.06
IUPAC Namebenzo[e]perimidin-7-one
SMILESO=C1c2ccccc2-c2ncnc3cccc1c23
InChIInChI=1S/C15H8N2O/c18-15-10-5-2-1-4-9(10)14-13-11(15)6-3-7-12(13)16-8-17-14/h1-8H
InChIKeyWWXLKPRGAXWHFO-UHFFFAOYSA-N
XLogP2.84
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzo[e]perimidin-7-one?
The IUPAC name of benzo[e]perimidin-7-one (CID 964647) is benzo[e]perimidin-7-one.
What is the SMILES notation for benzo[e]perimidin-7-one?
The canonical SMILES for benzo[e]perimidin-7-one is O=C1c2ccccc2-c2ncnc3cccc1c23.
What is the InChIKey of benzo[e]perimidin-7-one?
The InChIKey is WWXLKPRGAXWHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O/c18-15-10-5-2-1-4-9(10)14-13-11(15)6-3-7-12(13)16-8-17-14/h1-8H.
What are the key properties of benzo[e]perimidin-7-one?
benzo[e]perimidin-7-one has a molecular weight of 232.24 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[e]perimidin-7-one is sourced from PubChem (CID 964647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).