8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride

C12H19ClN2O4 — CID 154923032

IUPAC8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride
SMILESCl.O=C1OCC2(CCN(C(=O)[C@@H]3CCCN3)CC2)O1
InChIInChI=1S/C12H18N2O4.ClH/c15-10(9-2-1-5-13-9)14-6-3-12(4-7-14)8-17-11(16)18-12;/h9,13H,1-8H2;1H/t9-;/m0./s1
InChIKeyDJMSPJJEXFNZOR-FVGYRXGTSA-N
MW290.75 g/mol
LogP0.69
Rot. Bonds1

About 8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride

8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 154923032) has the molecular formula C12H19ClN2O4 and a molecular weight of 290.75 g/mol. Its IUPAC name is 8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride
PubChem CID154923032
Molecular FormulaC12H19ClN2O4
Molecular Weight290.75 g/mol
Exact Mass290.10
IUPAC Name8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride
SMILESCl.O=C1OCC2(CCN(C(=O)[C@@H]3CCCN3)CC2)O1
InChIInChI=1S/C12H18N2O4.ClH/c15-10(9-2-1-5-13-9)14-6-3-12(4-7-14)8-17-11(16)18-12;/h9,13H,1-8H2;1H/t9-;/m0./s1
InChIKeyDJMSPJJEXFNZOR-FVGYRXGTSA-N
XLogP0.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride
CID 154922759
2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone
CID 129497245
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
(4-methylidenepiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 130765902
6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone
CID 155905775
(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 135306349
morpholin-4-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 7175775
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride (CID 154923032) is 8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride is Cl.O=C1OCC2(CCN(C(=O)[C@@H]3CCCN3)CC2)O1.
What is the InChIKey of 8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is DJMSPJJEXFNZOR-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H18N2O4.ClH/c15-10(9-2-1-5-13-9)14-6-3-12(4-7-14)8-17-11(16)18-12;/h9,13H,1-8H2;1H/t9-;/m0./s1.
What are the key properties of 8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride?
8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-pyrrolidine-2-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 154923032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).