(5S)-1,6-diazabicyclo[3.2.1]octan-7-one

C6H10N2O — CID 97052328

IUPAC(5S)-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N[C@H]2CCCN1C2
InChIInChI=1S/C6H10N2O/c9-6-7-5-2-1-3-8(6)4-5/h5H,1-4H2,(H,7,9)/t5-/m0/s1
InChIKeyLTBMTKNTTYEJSD-YFKPBYRVSA-N
MW126.16 g/mol
LogP0.17
Rot. Bonds

About (5S)-1,6-diazabicyclo[3.2.1]octan-7-one

(5S)-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 97052328) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (5S)-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(5S)-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID97052328
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(5S)-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N[C@H]2CCCN1C2
InChIInChI=1S/C6H10N2O/c9-6-7-5-2-1-3-8(6)4-5/h5H,1-4H2,(H,7,9)/t5-/m0/s1
InChIKeyLTBMTKNTTYEJSD-YFKPBYRVSA-N
XLogP0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of (5S)-1,6-diazabicyclo[3.2.1]octan-7-one (CID 97052328) is (5S)-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (5S)-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (5S)-1,6-diazabicyclo[3.2.1]octan-7-one is O=C1N[C@H]2CCCN1C2.
What is the InChIKey of (5S)-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is LTBMTKNTTYEJSD-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N2O/c9-6-7-5-2-1-3-8(6)4-5/h5H,1-4H2,(H,7,9)/t5-/m0/s1.
What are the key properties of (5S)-1,6-diazabicyclo[3.2.1]octan-7-one?
(5S)-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 126.16 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 97052328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).