(5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione

C6H9N3O2 — CID 11480564

IUPAC(5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione
SMILESCN(C)/C=C1\NC(=O)NC1=O
InChIInChI=1S/C6H9N3O2/c1-9(2)3-4-5(10)8-6(11)7-4/h3H,1-2H3,(H2,7,8,10,11)/b4-3-
InChIKeyRPCXXXYDFJIVQU-ARJAWSKDSA-N
MW155.16 g/mol
LogP-0.77
Rot. Bonds1

About (5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione

(5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione (PubChem CID 11480564) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione
PubChem CID11480564
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione
SMILESCN(C)/C=C1\NC(=O)NC1=O
InChIInChI=1S/C6H9N3O2/c1-9(2)3-4-5(10)8-6(11)7-4/h3H,1-2H3,(H2,7,8,10,11)/b4-3-
InChIKeyRPCXXXYDFJIVQU-ARJAWSKDSA-N
XLogP-0.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(dimethylaminomethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione (CID 11480564) is (5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione is CN(C)/C=C1\NC(=O)NC1=O.
What is the InChIKey of (5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione?
The InChIKey is RPCXXXYDFJIVQU-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-9(2)3-4-5(10)8-6(11)7-4/h3H,1-2H3,(H2,7,8,10,11)/b4-3-.
What are the key properties of (5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione?
(5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione has a molecular weight of 155.16 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(dimethylaminomethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 11480564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).