5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione

C11H20N2O2 — CID 90678712

IUPAC5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione
SMILESCC(C)CC1(CC(C)C)NC(=O)N[11C]1=O
InChIInChI=1S/C11H20N2O2/c1-7(2)5-11(6-8(3)4)9(14)12-10(15)13-11/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15)/i9-1
InChIKeyUBUWXOUHUVWCDC-RVRFMXCPSA-N
MW211.29 g/mol
LogP1.66
Rot. Bonds4

About 5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione

5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione (PubChem CID 90678712) has the molecular formula C11H20N2O2 and a molecular weight of 211.29 g/mol. Its IUPAC name is 5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione
PubChem CID90678712
Molecular FormulaC11H20N2O2
Molecular Weight211.29 g/mol
Exact Mass211.16
IUPAC Name5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione
SMILESCC(C)CC1(CC(C)C)NC(=O)N[11C]1=O
InChIInChI=1S/C11H20N2O2/c1-7(2)5-11(6-8(3)4)9(14)12-10(15)13-11/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15)/i9-1
InChIKeyUBUWXOUHUVWCDC-RVRFMXCPSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Diazaspiro[4.5]decane-2,4-dione
CID 12799
1,3-Diazaspiro(4.4)nonane-2,4-dione
CID 94745
5-Methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 141385
8-Methyl-1,3-diazaspiro(4.5)decane-2,4-dione
CID 12817
1,3-Diazaspiro(4.7)dodecane-2,4-dione
CID 95195
5-Cyclopropyl-5-methylimidazolidine-2,4-dione
CID 231389
5,5-Dipropylimidazolidine-2,4-dione
CID 234754
1,3-Diazaspiro[4.11]hexadecane-2,4-dione
CID 2426734
1,3-Diazaspiro[4.6]undecane-2,4-dione
CID 229298
7,7,9,9-Tetramethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 1268066
CID 451207
CID 451207
6-Methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 227660

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione?
The IUPAC name of 5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione (CID 90678712) is 5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione.
What is the SMILES notation for 5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione?
The canonical SMILES for 5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione is CC(C)CC1(CC(C)C)NC(=O)N[11C]1=O.
What is the InChIKey of 5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione?
The InChIKey is UBUWXOUHUVWCDC-RVRFMXCPSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(2)5-11(6-8(3)4)9(14)12-10(15)13-11/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15)/i9-1.
What are the key properties of 5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione?
5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione has a molecular weight of 211.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(2-methylpropyl)-(411C)1,3-diazolidine-2,4-dione is sourced from PubChem (CID 90678712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).