2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one

C19H20N2O — CID 86091539

IUPAC2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
SMILESO=C1N(Cc2ccccc2)C2CCC2N1Cc1ccccc1
InChIInChI=1S/C19H20N2O/c22-19-20(13-15-7-3-1-4-8-15)17-11-12-18(17)21(19)14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyJHAHIKRXQCXYMD-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.66
Rot. Bonds4

About 2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one

2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one (PubChem CID 86091539) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one.

Molecular Properties

Compound Name2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
PubChem CID86091539
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
SMILESO=C1N(Cc2ccccc2)C2CCC2N1Cc1ccccc1
InChIInChI=1S/C19H20N2O/c22-19-20(13-15-7-3-1-4-8-15)17-11-12-18(17)21(19)14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyJHAHIKRXQCXYMD-UHFFFAOYSA-N
XLogP3.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one?
The IUPAC name of 2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one (CID 86091539) is 2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one.
What is the SMILES notation for 2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one?
The canonical SMILES for 2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one is O=C1N(Cc2ccccc2)C2CCC2N1Cc1ccccc1.
What is the InChIKey of 2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one?
The InChIKey is JHAHIKRXQCXYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19-20(13-15-7-3-1-4-8-15)17-11-12-18(17)21(19)14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of 2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one?
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one has a molecular weight of 292.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one is sourced from PubChem (CID 86091539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).