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

C11H18N2O — CID 58488113

IUPACcyclobutyl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESO=C(C1CCC1)N1C[C@@H]2CN[C@@H](C2)C1
InChIInChI=1S/C11H18N2O/c14-11(9-2-1-3-9)13-6-8-4-10(7-13)12-5-8/h8-10,12H,1-7H2/t8-,10-/m0/s1
InChIKeyWLSHSKUUEOPZSI-WPRPVWTQSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds1

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

cyclobutyl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone (PubChem CID 58488113) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is cyclobutyl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
PubChem CID58488113
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Namecyclobutyl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESO=C(C1CCC1)N1C[C@@H]2CN[C@@H](C2)C1
InChIInChI=1S/C11H18N2O/c14-11(9-2-1-3-9)13-6-8-4-10(7-13)12-5-8/h8-10,12H,1-7H2/t8-,10-/m0/s1
InChIKeyWLSHSKUUEOPZSI-WPRPVWTQSA-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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Related Compounds

Cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone
CID 58488107
cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 71450171
Cyclopropyl(3,8-diazabicyclo[3.2.1]octan-3-yl)methanone
CID 84076119
cyclopropyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 71451994
N-(pyrrolidin-3-yl)cyclobutanecarboxamide
CID 43603619
N-[(3S4R)-4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL]-4-methylpentanamide
CID 91922784
N-[1-(cyclobutylcarbonyl)tetrahydro-1H-pyrrol-3-yl]propanamide
CID 53016308
N-(1-Cyclobutanecarbonylpyrrolidin-3-YL)-2-methylpropanamide
CID 53016340
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide
CID 91922773
[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1R,2S)-2-fluorocyclopropyl]methanone
CID 58488058
1-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-3-fluoropropan-1-one
CID 58488089
[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1R,2R)-2-fluorocyclopropyl]methanone
CID 58488094

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
The IUPAC name of cyclobutyl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone (CID 58488113) is cyclobutyl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone.
What is the SMILES notation for cyclobutyl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
The canonical SMILES for cyclobutyl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone is O=C(C1CCC1)N1C[C@@H]2CN[C@@H](C2)C1.
What is the InChIKey of cyclobutyl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
The InChIKey is WLSHSKUUEOPZSI-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11(9-2-1-3-9)13-6-8-4-10(7-13)12-5-8/h8-10,12H,1-7H2/t8-,10-/m0/s1.
What are the key properties of cyclobutyl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone?
cyclobutyl-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-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-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone is sourced from PubChem (CID 58488113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).