3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one

C12H16N2O2 — CID 20589983

IUPAC3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(c2ccoc2)C1=O
InChIInChI=1S/C12H16N2O2/c1-13-11-5-8-4-9(8)6-14(12(11)15)10-2-3-16-7-10/h2-3,7-9,11,13H,4-6H2,1H3
InChIKeyZFGYBEOGFRLCKS-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.24
Rot. Bonds2

About 3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one

3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 20589983) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID20589983
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(c2ccoc2)C1=O
InChIInChI=1S/C12H16N2O2/c1-13-11-5-8-4-9(8)6-14(12(11)15)10-2-3-16-7-10/h2-3,7-9,11,13H,4-6H2,1H3
InChIKeyZFGYBEOGFRLCKS-UHFFFAOYSA-N
XLogP1.24
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (CID 20589983) is 3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(c2ccoc2)C1=O.
What is the InChIKey of 3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is ZFGYBEOGFRLCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-11-5-8-4-9(8)6-14(12(11)15)10-2-3-16-7-10/h2-3,7-9,11,13H,4-6H2,1H3.
What are the key properties of 3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 220.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 20589983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).