2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione

C13H20N2O2 — CID 80564107

IUPAC2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1CC1CCNC1
InChIInChI=1S/C13H20N2O2/c16-11-7-13(4-1-2-5-13)12(17)15(11)9-10-3-6-14-8-10/h10,14H,1-9H2
InChIKeyJGAXSQPSGCIVRD-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.92
Rot. Bonds2

About 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 80564107) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID80564107
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1CC1CCNC1
InChIInChI=1S/C13H20N2O2/c16-11-7-13(4-1-2-5-13)12(17)15(11)9-10-3-6-14-8-10/h10,14H,1-9H2
InChIKeyJGAXSQPSGCIVRD-UHFFFAOYSA-N
XLogP0.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione 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

2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 80564005
2-(2-piperidin-3-ylethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 60895517
2-(morpholin-2-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 113287224
2-(piperidin-2-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437191
2-[(3-hydroxycyclopentyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 106131148
2-(2-piperidin-2-ylethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437197
2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 84599563
2-(pyrrolidin-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 80563899
2-(1-piperidin-4-ylethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43523550
2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 89315539
2-(pyrrolidin-3-ylmethyl)oxazinan-3-one
CID 105441244
3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione
CID 114956274

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 80564107) is 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1CC1CCNC1.
What is the InChIKey of 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is JGAXSQPSGCIVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-11-7-13(4-1-2-5-13)12(17)15(11)9-10-3-6-14-8-10/h10,14H,1-9H2.
What are the key properties of 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 236.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 80564107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).