6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one

C10H16N2O2 — CID 105450021

IUPAC6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one
SMILESO=C1CC2(CCC2)ON1C1CCNC1
InChIInChI=1S/C10H16N2O2/c13-9-6-10(3-1-4-10)14-12(9)8-2-5-11-7-8/h8,11H,1-7H2
InChIKeyDNFGDUBSIOUOCW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.43
Rot. Bonds1

About 6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one

6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one (PubChem CID 105450021) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one
PubChem CID105450021
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one
SMILESO=C1CC2(CCC2)ON1C1CCNC1
InChIInChI=1S/C10H16N2O2/c13-9-6-10(3-1-4-10)14-12(9)8-2-5-11-7-8/h8,11H,1-7H2
InChIKeyDNFGDUBSIOUOCW-UHFFFAOYSA-N
XLogP0.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one?
The IUPAC name of 6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one (CID 105450021) is 6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one.
What is the SMILES notation for 6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one?
The canonical SMILES for 6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one is O=C1CC2(CCC2)ON1C1CCNC1.
What is the InChIKey of 6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one?
The InChIKey is DNFGDUBSIOUOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-9-6-10(3-1-4-10)14-12(9)8-2-5-11-7-8/h8,11H,1-7H2.
What are the key properties of 6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one?
6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one has a molecular weight of 196.25 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-3-yl-5-oxa-6-azaspiro[3.4]octan-7-one is sourced from PubChem (CID 105450021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).