9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione

C14H20N2O5 — CID 104767923

IUPAC9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCOC1(CN2C(=O)NC(=O)C3(CCCC3)C2=O)CCOC1
InChIInChI=1S/C14H20N2O5/c1-20-13(6-7-21-9-13)8-16-11(18)14(4-2-3-5-14)10(17)15-12(16)19/h2-9H2,1H3,(H,15,17,19)
InChIKeyZXKKRLNCMFAFSL-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.43
Rot. Bonds3

About 9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 104767923) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID104767923
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCOC1(CN2C(=O)NC(=O)C3(CCCC3)C2=O)CCOC1
InChIInChI=1S/C14H20N2O5/c1-20-13(6-7-21-9-13)8-16-11(18)14(4-2-3-5-14)10(17)15-12(16)19/h2-9H2,1H3,(H,15,17,19)
InChIKeyZXKKRLNCMFAFSL-UHFFFAOYSA-N
XLogP0.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 104767923) is 9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione is COC1(CN2C(=O)NC(=O)C3(CCCC3)C2=O)CCOC1.
What is the InChIKey of 9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is ZXKKRLNCMFAFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-20-13(6-7-21-9-13)8-16-11(18)14(4-2-3-5-14)10(17)15-12(16)19/h2-9H2,1H3,(H,15,17,19).
What are the key properties of 9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 296.32 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 104767923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).