6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one

C9H16N2O — CID 20566537

IUPAC6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one
SMILESCC(C)(C)C1CC2NC(=O)NC21
InChIInChI=1S/C9H16N2O/c1-9(2,3)5-4-6-7(5)11-8(12)10-6/h5-7H,4H2,1-3H3,(H2,10,11,12)
InChIKeyWUZPFMPOANFKLB-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.10
Rot. Bonds

About 6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one

6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one (PubChem CID 20566537) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one.

Molecular Properties

Compound Name6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one
PubChem CID20566537
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one
SMILESCC(C)(C)C1CC2NC(=O)NC21
InChIInChI=1S/C9H16N2O/c1-9(2,3)5-4-6-7(5)11-8(12)10-6/h5-7H,4H2,1-3H3,(H2,10,11,12)
InChIKeyWUZPFMPOANFKLB-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one?
The IUPAC name of 6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one (CID 20566537) is 6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one.
What is the SMILES notation for 6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one?
The canonical SMILES for 6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one is CC(C)(C)C1CC2NC(=O)NC21.
What is the InChIKey of 6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one?
The InChIKey is WUZPFMPOANFKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2,3)5-4-6-7(5)11-8(12)10-6/h5-7H,4H2,1-3H3,(H2,10,11,12).
What are the key properties of 6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one?
6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one has a molecular weight of 168.24 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,4-diazabicyclo[3.2.0]heptan-3-one is sourced from PubChem (CID 20566537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).