2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone

C11H12N4O4 — CID 44552395

IUPAC2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone
SMILESO=C1NC(=O)C2(CC3(C2)CC2(C3)NC(=O)NC2=O)N1
InChIInChI=1S/C11H12N4O4/c16-5-10(14-7(18)12-5)1-9(2-10)3-11(4-9)6(17)13-8(19)15-11/h1-4H2,(H2,12,14,16,18)(H2,13,15,17,19)
InChIKeyKBVSOFRQMDPAQD-UHFFFAOYSA-N
MW264.24 g/mol
LogP-1.28
Rot. Bonds

About 2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone

2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone (PubChem CID 44552395) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone.

Molecular Properties

Compound Name2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone
PubChem CID44552395
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone
SMILESO=C1NC(=O)C2(CC3(C2)CC2(C3)NC(=O)NC2=O)N1
InChIInChI=1S/C11H12N4O4/c16-5-10(14-7(18)12-5)1-9(2-10)3-11(4-9)6(17)13-8(19)15-11/h1-4H2,(H2,12,14,16,18)(H2,13,15,17,19)
InChIKeyKBVSOFRQMDPAQD-UHFFFAOYSA-N
XLogP-1.28
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone with MolForge

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Related Compounds

2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid
CID 155895138
2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
CID 19811070
1,3-diazaspiro[4.5]decane-2,4,8-trione
CID 66728930
7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4868343
8-amino-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118281748
8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate
CID 154701034
1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid
CID 68564691
2-(hydroxymethyl)-5,7-diazaspiro[3.4]octane-6,8-dione;2-(iodomethyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 157073230
2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
CID 147382096
(5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 177290980
2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate
CID 78445633
(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl) hydrogen carbonate
CID 68899582

Frequently Asked Questions

What is the IUPAC name of 2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone?
The IUPAC name of 2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone (CID 44552395) is 2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone.
What is the SMILES notation for 2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone?
The canonical SMILES for 2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone is O=C1NC(=O)C2(CC3(C2)CC2(C3)NC(=O)NC2=O)N1.
What is the InChIKey of 2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone?
The InChIKey is KBVSOFRQMDPAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c16-5-10(14-7(18)12-5)1-9(2-10)3-11(4-9)6(17)13-8(19)15-11/h1-4H2,(H2,12,14,16,18)(H2,13,15,17,19).
What are the key properties of 2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone?
2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone has a molecular weight of 264.24 g/mol, XLogP of -1.28, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone is sourced from PubChem (CID 44552395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).