(5R)-1,4-diazabicyclo[3.2.1]octan-3-one

C6H10N2O — CID 155893434

IUPAC(5R)-1,4-diazabicyclo[3.2.1]octan-3-one
SMILESO=C1CN2CC[C@H](C2)N1
InChIInChI=1S/C6H10N2O/c9-6-4-8-2-1-5(3-8)7-6/h5H,1-4H2,(H,7,9)/t5-/m1/s1
InChIKeyWCIWQHOFYCUUKF-RXMQYKEDSA-N
MW126.16 g/mol
LogP-0.81
Rot. Bonds

About (5R)-1,4-diazabicyclo[3.2.1]octan-3-one

(5R)-1,4-diazabicyclo[3.2.1]octan-3-one (PubChem CID 155893434) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (5R)-1,4-diazabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(5R)-1,4-diazabicyclo[3.2.1]octan-3-one
PubChem CID155893434
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(5R)-1,4-diazabicyclo[3.2.1]octan-3-one
SMILESO=C1CN2CC[C@H](C2)N1
InChIInChI=1S/C6H10N2O/c9-6-4-8-2-1-5(3-8)7-6/h5H,1-4H2,(H,7,9)/t5-/m1/s1
InChIKeyWCIWQHOFYCUUKF-RXMQYKEDSA-N
XLogP-0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-1,4-diazabicyclo[3.2.1]octan-3-one?
The IUPAC name of (5R)-1,4-diazabicyclo[3.2.1]octan-3-one (CID 155893434) is (5R)-1,4-diazabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (5R)-1,4-diazabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (5R)-1,4-diazabicyclo[3.2.1]octan-3-one is O=C1CN2CC[C@H](C2)N1.
What is the InChIKey of (5R)-1,4-diazabicyclo[3.2.1]octan-3-one?
The InChIKey is WCIWQHOFYCUUKF-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10N2O/c9-6-4-8-2-1-5(3-8)7-6/h5H,1-4H2,(H,7,9)/t5-/m1/s1.
What are the key properties of (5R)-1,4-diazabicyclo[3.2.1]octan-3-one?
(5R)-1,4-diazabicyclo[3.2.1]octan-3-one has a molecular weight of 126.16 g/mol, XLogP of -0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,4-diazabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 155893434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).