4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione

C14H19N3O4 — CID 115948504

IUPAC4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESO=C1CCC(CN2C(=O)NC(=O)C3(CCCCC3)C2=O)N1
InChIInChI=1S/C14H19N3O4/c18-10-5-4-9(15-10)8-17-12(20)14(6-2-1-3-7-14)11(19)16-13(17)21/h9H,1-8H2,(H,15,18)(H,16,19,21)
InChIKeyBSZJOGZBCDMFMD-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.29
Rot. Bonds2

About 4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione

4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione (PubChem CID 115948504) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Molecular Properties

Compound Name4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
PubChem CID115948504
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESO=C1CCC(CN2C(=O)NC(=O)C3(CCCCC3)C2=O)N1
InChIInChI=1S/C14H19N3O4/c18-10-5-4-9(15-10)8-17-12(20)14(6-2-1-3-7-14)11(19)16-13(17)21/h9H,1-8H2,(H,15,18)(H,16,19,21)
InChIKeyBSZJOGZBCDMFMD-UHFFFAOYSA-N
XLogP0.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(oxan-4-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115948147
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
4-prop-2-ynyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 112599528
7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599604
8-[(1-ethylpyrrolidin-3-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946954
2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea
CID 115949105
4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947658
4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 106172217
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
4-[2-(dimethylamino)propyl]-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 115947356
1-[(5-oxopyrrolidin-2-yl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 112601053
1-[(5-oxopyrrolidin-2-yl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112601050

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The IUPAC name of 4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione (CID 115948504) is 4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione.
What is the SMILES notation for 4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The canonical SMILES for 4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione is O=C1CCC(CN2C(=O)NC(=O)C3(CCCCC3)C2=O)N1.
What is the InChIKey of 4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The InChIKey is BSZJOGZBCDMFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-10-5-4-9(15-10)8-17-12(20)14(6-2-1-3-7-14)11(19)16-13(17)21/h9H,1-8H2,(H,15,18)(H,16,19,21).
What are the key properties of 4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione has a molecular weight of 293.32 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxopyrrolidin-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione is sourced from PubChem (CID 115948504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).