3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one

C8H12N2O2 — CID 13130988

IUPAC3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one
SMILESO=C1NCCCNC2=C1CCO2
InChIInChI=1S/C8H12N2O2/c11-7-6-2-5-12-8(6)10-4-1-3-9-7/h10H,1-5H2,(H,9,11)
InChIKeyQZNSGTHFJFIXPJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.27
Rot. Bonds

About 3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one

3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one (PubChem CID 13130988) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one.

Molecular Properties

Compound Name3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one
PubChem CID13130988
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one
SMILESO=C1NCCCNC2=C1CCO2
InChIInChI=1S/C8H12N2O2/c11-7-6-2-5-12-8(6)10-4-1-3-9-7/h10H,1-5H2,(H,9,11)
InChIKeyQZNSGTHFJFIXPJ-UHFFFAOYSA-N
XLogP-0.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one?
The IUPAC name of 3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one (CID 13130988) is 3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one.
What is the SMILES notation for 3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one?
The canonical SMILES for 3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one is O=C1NCCCNC2=C1CCO2.
What is the InChIKey of 3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one?
The InChIKey is QZNSGTHFJFIXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-7-6-2-5-12-8(6)10-4-1-3-9-7/h10H,1-5H2,(H,9,11).
What are the key properties of 3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one?
3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one has a molecular weight of 168.20 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7,8,9-hexahydro-2H-furo[2,3-b][1,5]diazocin-4-one is sourced from PubChem (CID 13130988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).