cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone

C10H16N2O — CID 89273598

IUPACcyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
SMILESO=C(C1CCC1)N1CC2CC(C1)N2
InChIInChI=1S/C10H16N2O/c13-10(7-2-1-3-7)12-5-8-4-9(6-12)11-8/h7-9,11H,1-6H2
InChIKeyIBKIPEZDVFQTJT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.36
Rot. Bonds1

About cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone

cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone (PubChem CID 89273598) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
PubChem CID89273598
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Namecyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone
SMILESO=C(C1CCC1)N1CC2CC(C1)N2
InChIInChI=1S/C10H16N2O/c13-10(7-2-1-3-7)12-5-8-4-9(6-12)11-8/h7-9,11H,1-6H2
InChIKeyIBKIPEZDVFQTJT-UHFFFAOYSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The IUPAC name of cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone (CID 89273598) is cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone.
What is the SMILES notation for cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The canonical SMILES for cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone is O=C(C1CCC1)N1CC2CC(C1)N2.
What is the InChIKey of cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
The InChIKey is IBKIPEZDVFQTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-10(7-2-1-3-7)12-5-8-4-9(6-12)11-8/h7-9,11H,1-6H2.
What are the key properties of cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone?
cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone has a molecular weight of 180.25 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone is sourced from PubChem (CID 89273598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).