3-amino-5-ethylideneimidazolidine-2,4-dione

C5H7N3O2 — CID 90202876

IUPAC3-amino-5-ethylideneimidazolidine-2,4-dione
SMILESCC=C1NC(=O)N(N)C1=O
InChIInChI=1S/C5H7N3O2/c1-2-3-4(9)8(6)5(10)7-3/h2H,6H2,1H3,(H,7,10)
InChIKeyQEMPPBCMYUJIJJ-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.68
Rot. Bonds

About 3-amino-5-ethylideneimidazolidine-2,4-dione

3-amino-5-ethylideneimidazolidine-2,4-dione (PubChem CID 90202876) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-amino-5-ethylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-amino-5-ethylideneimidazolidine-2,4-dione
PubChem CID90202876
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name3-amino-5-ethylideneimidazolidine-2,4-dione
SMILESCC=C1NC(=O)N(N)C1=O
InChIInChI=1S/C5H7N3O2/c1-2-3-4(9)8(6)5(10)7-3/h2H,6H2,1H3,(H,7,10)
InChIKeyQEMPPBCMYUJIJJ-UHFFFAOYSA-N
XLogP-0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-ethylideneimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethylideneimidazolidine-2,4-dione?
The IUPAC name of 3-amino-5-ethylideneimidazolidine-2,4-dione (CID 90202876) is 3-amino-5-ethylideneimidazolidine-2,4-dione.
What is the SMILES notation for 3-amino-5-ethylideneimidazolidine-2,4-dione?
The canonical SMILES for 3-amino-5-ethylideneimidazolidine-2,4-dione is CC=C1NC(=O)N(N)C1=O.
What is the InChIKey of 3-amino-5-ethylideneimidazolidine-2,4-dione?
The InChIKey is QEMPPBCMYUJIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-2-3-4(9)8(6)5(10)7-3/h2H,6H2,1H3,(H,7,10).
What are the key properties of 3-amino-5-ethylideneimidazolidine-2,4-dione?
3-amino-5-ethylideneimidazolidine-2,4-dione has a molecular weight of 141.13 g/mol, XLogP of -0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethylideneimidazolidine-2,4-dione is sourced from PubChem (CID 90202876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).