6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone

C12H15NO2 — CID 116573257

IUPAC6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone
SMILESO=C(c1ccoc1)C1CC12CCNCC2
InChIInChI=1S/C12H15NO2/c14-11(9-1-6-15-8-9)10-7-12(10)2-4-13-5-3-12/h1,6,8,10,13H,2-5,7H2
InChIKeyQZHGHSFWHDPDCN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.85
Rot. Bonds2

About 6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone

6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone (PubChem CID 116573257) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone
PubChem CID116573257
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone
SMILESO=C(c1ccoc1)C1CC12CCNCC2
InChIInChI=1S/C12H15NO2/c14-11(9-1-6-15-8-9)10-7-12(10)2-4-13-5-3-12/h1,6,8,10,13H,2-5,7H2
InChIKeyQZHGHSFWHDPDCN-UHFFFAOYSA-N
XLogP1.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone (CID 116573257) is 6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone is O=C(c1ccoc1)C1CC12CCNCC2.
What is the InChIKey of 6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone?
The InChIKey is QZHGHSFWHDPDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-11(9-1-6-15-8-9)10-7-12(10)2-4-13-5-3-12/h1,6,8,10,13H,2-5,7H2.
What are the key properties of 6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone?
6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone has a molecular weight of 205.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-2-yl(furan-3-yl)methanone is sourced from PubChem (CID 116573257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).