2-oxa-5,9-diazabicyclo[6.2.0]decane

C7H14N2O — CID 118209815

IUPAC2-oxa-5,9-diazabicyclo[6.2.0]decane
SMILESC1COC2CNC2CCN1
InChIInChI=1S/C7H14N2O/c1-2-8-3-4-10-7-5-9-6(1)7/h6-9H,1-5H2
InChIKeyBABRQRLLYPPGLN-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.66
Rot. Bonds

About 2-oxa-5,9-diazabicyclo[6.2.0]decane

2-oxa-5,9-diazabicyclo[6.2.0]decane (PubChem CID 118209815) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-oxa-5,9-diazabicyclo[6.2.0]decane.

Molecular Properties

Compound Name2-oxa-5,9-diazabicyclo[6.2.0]decane
PubChem CID118209815
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-oxa-5,9-diazabicyclo[6.2.0]decane
SMILESC1COC2CNC2CCN1
InChIInChI=1S/C7H14N2O/c1-2-8-3-4-10-7-5-9-6(1)7/h6-9H,1-5H2
InChIKeyBABRQRLLYPPGLN-UHFFFAOYSA-N
XLogP-0.66
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-5,9-diazabicyclo[6.2.0]decane?
The IUPAC name of 2-oxa-5,9-diazabicyclo[6.2.0]decane (CID 118209815) is 2-oxa-5,9-diazabicyclo[6.2.0]decane.
What is the SMILES notation for 2-oxa-5,9-diazabicyclo[6.2.0]decane?
The canonical SMILES for 2-oxa-5,9-diazabicyclo[6.2.0]decane is C1COC2CNC2CCN1.
What is the InChIKey of 2-oxa-5,9-diazabicyclo[6.2.0]decane?
The InChIKey is BABRQRLLYPPGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-8-3-4-10-7-5-9-6(1)7/h6-9H,1-5H2.
What are the key properties of 2-oxa-5,9-diazabicyclo[6.2.0]decane?
2-oxa-5,9-diazabicyclo[6.2.0]decane has a molecular weight of 142.20 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5,9-diazabicyclo[6.2.0]decane is sourced from PubChem (CID 118209815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).