6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone

C11H18N2O — CID 131185783

IUPAC6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone
SMILESO=C(C1CNC1)N1CCC2(CCC2)C1
InChIInChI=1S/C11H18N2O/c14-10(9-6-12-7-9)13-5-4-11(8-13)2-1-3-11/h9,12H,1-8H2
InChIKeySFYVUMCSFLNYQA-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds1

About 6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone

6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone (PubChem CID 131185783) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone
PubChem CID131185783
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone
SMILESO=C(C1CNC1)N1CCC2(CCC2)C1
InChIInChI=1S/C11H18N2O/c14-10(9-6-12-7-9)13-5-4-11(8-13)2-1-3-11/h9,12H,1-8H2
InChIKeySFYVUMCSFLNYQA-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone (CID 131185783) is 6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone is O=C(C1CNC1)N1CCC2(CCC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone?
The InChIKey is SFYVUMCSFLNYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-10(9-6-12-7-9)13-5-4-11(8-13)2-1-3-11/h9,12H,1-8H2.
What are the key properties of 6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone?
6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone has a molecular weight of 194.28 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone is sourced from PubChem (CID 131185783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).