N-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide

C8H10N4O4 — CID 73333699

IUPACN-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide
SMILESCC(=O)N/N=C(\C)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H10N4O4/c1-3(11-12-4(2)13)5-6(14)9-8(16)10-7(5)15/h5H,1-2H3,(H,12,13)(H2,9,10,14,15,16)/b11-3+
InChIKeyQFLBAINCWDQJQY-QDEBKDIKSA-N
MW226.19 g/mol
LogP-1.52
Rot. Bonds2

About N-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide

N-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide (PubChem CID 73333699) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is N-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide
PubChem CID73333699
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC NameN-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide
SMILESCC(=O)N/N=C(\C)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H10N4O4/c1-3(11-12-4(2)13)5-6(14)9-8(16)10-7(5)15/h5H,1-2H3,(H,12,13)(H2,9,10,14,15,16)/b11-3+
InChIKeyQFLBAINCWDQJQY-QDEBKDIKSA-N
XLogP-1.52
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide?
The IUPAC name of N-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide (CID 73333699) is N-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide.
What is the SMILES notation for N-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide?
The canonical SMILES for N-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide is CC(=O)N/N=C(\C)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of N-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide?
The InChIKey is QFLBAINCWDQJQY-QDEBKDIKSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-3(11-12-4(2)13)5-6(14)9-8(16)10-7(5)15/h5H,1-2H3,(H,12,13)(H2,9,10,14,15,16)/b11-3+.
What are the key properties of N-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide?
N-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide has a molecular weight of 226.19 g/mol, XLogP of -1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]acetamide is sourced from PubChem (CID 73333699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).