(5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione

C7H10N2O2 — CID 135044041

IUPAC(5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione
SMILES[2H]C([2H])([2H])C([2H])([13CH3])/C=C1\NC(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-4(2)3-5-6(10)9-7(11)8-5/h3-4H,1-2H3,(H2,8,9,10,11)/b5-3-/i1D3,2+1,4D
InChIKeyFKEBJFWQLNFBHG-WUJSKZBMSA-N
MW159.19 g/mol
LogP0.37
Rot. Bonds2

About (5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione

(5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione (PubChem CID 135044041) has the molecular formula C7H10N2O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is (5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione
PubChem CID135044041
Molecular FormulaC7H10N2O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name(5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione
SMILES[2H]C([2H])([2H])C([2H])([13CH3])/C=C1\NC(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-4(2)3-5-6(10)9-7(11)8-5/h3-4H,1-2H3,(H2,8,9,10,11)/b5-3-/i1D3,2+1,4D
InChIKeyFKEBJFWQLNFBHG-WUJSKZBMSA-N
XLogP0.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione (CID 135044041) is (5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione is [2H]C([2H])([2H])C([2H])([13CH3])/C=C1\NC(=O)NC1=O.
What is the InChIKey of (5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione?
The InChIKey is FKEBJFWQLNFBHG-WUJSKZBMSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4(2)3-5-6(10)9-7(11)8-5/h3-4H,1-2H3,(H2,8,9,10,11)/b5-3-/i1D3,2+1,4D.
What are the key properties of (5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione?
(5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione has a molecular weight of 159.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2,3,3,3-tetradeuterio-2-(113C)methylpropylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 135044041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).