3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

C7H12N2O2 — CID 105430476

IUPAC3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESO=C1NC2CNCC1COC2
InChIInChI=1S/C7H12N2O2/c10-7-5-1-8-2-6(9-7)4-11-3-5/h5-6,8H,1-4H2,(H,9,10)
InChIKeyPQPCHGNXLYYRQR-UHFFFAOYSA-N
MW156.18 g/mol
LogP-1.28
Rot. Bonds

About 3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (PubChem CID 105430476) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
PubChem CID105430476
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESO=C1NC2CNCC1COC2
InChIInChI=1S/C7H12N2O2/c10-7-5-1-8-2-6(9-7)4-11-3-5/h5-6,8H,1-4H2,(H,9,10)
InChIKeyPQPCHGNXLYYRQR-UHFFFAOYSA-N
XLogP-1.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The IUPAC name of 3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (CID 105430476) is 3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for 3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The canonical SMILES for 3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is O=C1NC2CNCC1COC2.
What is the InChIKey of 3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The InChIKey is PQPCHGNXLYYRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-7-5-1-8-2-6(9-7)4-11-3-5/h5-6,8H,1-4H2,(H,9,10).
What are the key properties of 3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one has a molecular weight of 156.18 g/mol, XLogP of -1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 105430476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).