(1R)-2,6-diazabicyclo[3.2.0]heptan-7-one

C5H8N2O — CID 69327135

IUPAC(1R)-2,6-diazabicyclo[3.2.0]heptan-7-one
SMILESO=C1NC2CCN[C@@H]12
InChIInChI=1S/C5H8N2O/c8-5-4-3(7-5)1-2-6-4/h3-4,6H,1-2H2,(H,7,8)/t3?,4-/m1/s1
InChIKeyRSHINDBAUNILFQ-SRBOSORUSA-N
MW112.13 g/mol
LogP-1.15
Rot. Bonds

About (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one

(1R)-2,6-diazabicyclo[3.2.0]heptan-7-one (PubChem CID 69327135) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(1R)-2,6-diazabicyclo[3.2.0]heptan-7-one
PubChem CID69327135
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(1R)-2,6-diazabicyclo[3.2.0]heptan-7-one
SMILESO=C1NC2CCN[C@@H]12
InChIInChI=1S/C5H8N2O/c8-5-4-3(7-5)1-2-6-4/h3-4,6H,1-2H2,(H,7,8)/t3?,4-/m1/s1
InChIKeyRSHINDBAUNILFQ-SRBOSORUSA-N
XLogP-1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one (CID 69327135) is (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one is O=C1NC2CCN[C@@H]12.
What is the InChIKey of (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one?
The InChIKey is RSHINDBAUNILFQ-SRBOSORUSA-N. The full InChI is InChI=1S/C5H8N2O/c8-5-4-3(7-5)1-2-6-4/h3-4,6H,1-2H2,(H,7,8)/t3?,4-/m1/s1.
What are the key properties of (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one?
(1R)-2,6-diazabicyclo[3.2.0]heptan-7-one has a molecular weight of 112.13 g/mol, XLogP of -1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 69327135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).