[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone

C13H20N2O — CID 67130700

IUPAC[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESO=C(C1CC12CCC2)N1C[C@@H]2CN[C@@H](C2)C1
InChIInChI=1S/C13H20N2O/c16-12(11-5-13(11)2-1-3-13)15-7-9-4-10(8-15)14-6-9/h9-11,14H,1-8H2/t9-,10-,11?/m0/s1
InChIKeyYZKUJTXTXZMCNY-QRHSGQBVSA-N
MW220.32 g/mol
LogP1.00
Rot. Bonds1

About [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone

[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone (PubChem CID 67130700) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone.

Molecular Properties

Compound Name[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone
PubChem CID67130700
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESO=C(C1CC12CCC2)N1C[C@@H]2CN[C@@H](C2)C1
InChIInChI=1S/C13H20N2O/c16-12(11-5-13(11)2-1-3-13)15-7-9-4-10(8-15)14-6-9/h9-11,14H,1-8H2/t9-,10-,11?/m0/s1
InChIKeyYZKUJTXTXZMCNY-QRHSGQBVSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone?
The IUPAC name of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone (CID 67130700) is [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone.
What is the SMILES notation for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone?
The canonical SMILES for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone is O=C(C1CC12CCC2)N1C[C@@H]2CN[C@@H](C2)C1.
What is the InChIKey of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone?
The InChIKey is YZKUJTXTXZMCNY-QRHSGQBVSA-N. The full InChI is InChI=1S/C13H20N2O/c16-12(11-5-13(11)2-1-3-13)15-7-9-4-10(8-15)14-6-9/h9-11,14H,1-8H2/t9-,10-,11?/m0/s1.
What are the key properties of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone?
[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone has a molecular weight of 220.32 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-spiro[2.3]hexan-2-ylmethanone is sourced from PubChem (CID 67130700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).