3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione

C8H13N5O2 — CID 61396577

IUPAC3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CCN=[N+]=[N-])C1=O
InChIInChI=1S/C8H13N5O2/c1-3-8(2)6(14)13(7(15)11-8)5-4-10-12-9/h3-5H2,1-2H3,(H,11,15)
InChIKeyARUXRTIIJAOPBF-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.02
Rot. Bonds4

About 3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione

3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 61396577) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID61396577
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CCN=[N+]=[N-])C1=O
InChIInChI=1S/C8H13N5O2/c1-3-8(2)6(14)13(7(15)11-8)5-4-10-12-9/h3-5H2,1-2H3,(H,11,15)
InChIKeyARUXRTIIJAOPBF-UHFFFAOYSA-N
XLogP1.02
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione (CID 61396577) is 3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(CCN=[N+]=[N-])C1=O.
What is the InChIKey of 3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is ARUXRTIIJAOPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-3-8(2)6(14)13(7(15)11-8)5-4-10-12-9/h3-5H2,1-2H3,(H,11,15).
What are the key properties of 3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 211.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 61396577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).