2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone

C12H20N2O2 — CID 129497245

IUPAC2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCC2(CC1)COC2
InChIInChI=1S/C12H20N2O2/c15-11(10-2-1-5-13-10)14-6-3-12(4-7-14)8-16-9-12/h10,13H,1-9H2/t10-/m0/s1
InChIKeyMEWQRCGLPMYLBA-JTQLQIEISA-N
MW224.30 g/mol
LogP0.38
Rot. Bonds1

About 2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone

2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 129497245) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID129497245
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCC2(CC1)COC2
InChIInChI=1S/C12H20N2O2/c15-11(10-2-1-5-13-10)14-6-3-12(4-7-14)8-16-9-12/h10,13H,1-9H2/t10-/m0/s1
InChIKeyMEWQRCGLPMYLBA-JTQLQIEISA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

morpholin-4-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 7175775
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone
CID 3095254
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
8-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119816893
(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone
CID 116991084
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride
CID 154923032
2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119805330
morpholin-4-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 178201427

Frequently Asked Questions

What is the IUPAC name of 2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of 2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone (CID 129497245) is 2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for 2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for 2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone is O=C([C@@H]1CCCN1)N1CCC2(CC1)COC2.
What is the InChIKey of 2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is MEWQRCGLPMYLBA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11(10-2-1-5-13-10)14-6-3-12(4-7-14)8-16-9-12/h10,13H,1-9H2/t10-/m0/s1.
What are the key properties of 2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone?
2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 224.30 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 129497245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).