cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone

C11H18N2O — CID 58488093

IUPACcyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone
SMILESO=C(C1CCC1)N1C[C@H]2CNC[C@@H]1C2
InChIInChI=1S/C11H18N2O/c14-11(9-2-1-3-9)13-7-8-4-10(13)6-12-5-8/h8-10,12H,1-7H2/t8-,10+/m1/s1
InChIKeyZVPVSELLYIDXQB-SCZZXKLOSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds1

About cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone

cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone (PubChem CID 58488093) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone
PubChem CID58488093
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Namecyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone
SMILESO=C(C1CCC1)N1C[C@H]2CNC[C@@H]1C2
InChIInChI=1S/C11H18N2O/c14-11(9-2-1-3-9)13-7-8-4-10(13)6-12-5-8/h8-10,12H,1-7H2/t8-,10+/m1/s1
InChIKeyZVPVSELLYIDXQB-SCZZXKLOSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone?
The IUPAC name of cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone (CID 58488093) is cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone.
What is the SMILES notation for cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone?
The canonical SMILES for cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone is O=C(C1CCC1)N1C[C@H]2CNC[C@@H]1C2.
What is the InChIKey of cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone?
The InChIKey is ZVPVSELLYIDXQB-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11(9-2-1-3-9)13-7-8-4-10(13)6-12-5-8/h8-10,12H,1-7H2/t8-,10+/m1/s1.
What are the key properties of cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone?
cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone has a molecular weight of 194.28 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone is sourced from PubChem (CID 58488093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).