cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone

C13H22N2O — CID 97379419

IUPACcyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone
SMILESO=C(C1CCCCC1)N1C[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C13H22N2O/c16-13(10-4-2-1-3-5-10)15-9-11-6-7-14-8-12(11)15/h10-12,14H,1-9H2/t11-,12-/m0/s1
InChIKeyBGPZTINPUOJBHE-RYUDHWBXSA-N
MW222.33 g/mol
LogP1.39
Rot. Bonds1

About cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone

cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone (PubChem CID 97379419) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone
PubChem CID97379419
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Namecyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone
SMILESO=C(C1CCCCC1)N1C[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C13H22N2O/c16-13(10-4-2-1-3-5-10)15-9-11-6-7-14-8-12(11)15/h10-12,14H,1-9H2/t11-,12-/m0/s1
InChIKeyBGPZTINPUOJBHE-RYUDHWBXSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone?
The IUPAC name of cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone (CID 97379419) is cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone.
What is the SMILES notation for cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone?
The canonical SMILES for cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone is O=C(C1CCCCC1)N1C[C@@H]2CCNC[C@@H]21.
What is the InChIKey of cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone?
The InChIKey is BGPZTINPUOJBHE-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13(10-4-2-1-3-5-10)15-9-11-6-7-14-8-12(11)15/h10-12,14H,1-9H2/t11-,12-/m0/s1.
What are the key properties of cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone?
cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone has a molecular weight of 222.33 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone is sourced from PubChem (CID 97379419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).