1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C16H19NO3 — CID 167988151

IUPAC1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(N1CC2(CCOCC2)C1c1ccco1)C12CC1C2
InChIInChI=1S/C16H19NO3/c18-14(16-8-11(16)9-16)17-10-15(3-6-19-7-4-15)13(17)12-2-1-5-20-12/h1-2,5,11,13H,3-4,6-10H2
InChIKeyXJWLEUULEOOBMY-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.37
Rot. Bonds2

About 1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 167988151) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID167988151
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(N1CC2(CCOCC2)C1c1ccco1)C12CC1C2
InChIInChI=1S/C16H19NO3/c18-14(16-8-11(16)9-16)17-10-15(3-6-19-7-4-15)13(17)12-2-1-5-20-12/h1-2,5,11,13H,3-4,6-10H2
InChIKeyXJWLEUULEOOBMY-UHFFFAOYSA-N
XLogP2.37
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of 1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 167988151) is 1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for 1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for 1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is O=C(N1CC2(CCOCC2)C1c1ccco1)C12CC1C2.
What is the InChIKey of 1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is XJWLEUULEOOBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14(16-8-11(16)9-16)17-10-15(3-6-19-7-4-15)13(17)12-2-1-5-20-12/h1-2,5,11,13H,3-4,6-10H2.
What are the key properties of 1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 273.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.0]butanyl-[3-(furan-2-yl)-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 167988151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).