(5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione

C8H13N3O2 — CID 177488438

IUPAC(5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione
SMILESCCN(/C=C1/NC(=O)NC1=O)CC
InChIInChI=1S/C8H13N3O2/c1-3-11(4-2)5-6-7(12)10-8(13)9-6/h5H,3-4H2,1-2H3,(H2,9,10,12,13)/b6-5+
InChIKeyIJSVUJZZDPOQSR-AATRIKPKSA-N
MW183.21 g/mol
LogP0.01
Rot. Bonds3

About (5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione

(5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione (PubChem CID 177488438) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione
PubChem CID177488438
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione
SMILESCCN(/C=C1/NC(=O)NC1=O)CC
InChIInChI=1S/C8H13N3O2/c1-3-11(4-2)5-6-7(12)10-8(13)9-6/h5H,3-4H2,1-2H3,(H2,9,10,12,13)/b6-5+
InChIKeyIJSVUJZZDPOQSR-AATRIKPKSA-N
XLogP0.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.01
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 (5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione (CID 177488438) is (5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione is CCN(/C=C1/NC(=O)NC1=O)CC.
What is the InChIKey of (5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione?
The InChIKey is IJSVUJZZDPOQSR-AATRIKPKSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-11(4-2)5-6-7(12)10-8(13)9-6/h5H,3-4H2,1-2H3,(H2,9,10,12,13)/b6-5+.
What are the key properties of (5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione?
(5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(diethylaminomethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 177488438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).