N,N',2-trioxopentanediamide

C5H4N2O5 — CID 88556785

IUPACN,N',2-trioxopentanediamide
SMILESO=NC(=O)CCC(=O)C(=O)N=O
InChIInChI=1S/C5H4N2O5/c8-3(5(10)7-12)1-2-4(9)6-11/h1-2H2
InChIKeyIXTAGXOFIPMBGM-UHFFFAOYSA-N
MW172.10 g/mol
LogP-0.08
Rot. Bonds4

About N,N',2-trioxopentanediamide

N,N',2-trioxopentanediamide (PubChem CID 88556785) has the molecular formula C5H4N2O5 and a molecular weight of 172.10 g/mol. Its IUPAC name is N,N',2-trioxopentanediamide.

Molecular Properties

Compound NameN,N',2-trioxopentanediamide
PubChem CID88556785
Molecular FormulaC5H4N2O5
Molecular Weight172.10 g/mol
Exact Mass172.01
IUPAC NameN,N',2-trioxopentanediamide
SMILESO=NC(=O)CCC(=O)C(=O)N=O
InChIInChI=1S/C5H4N2O5/c8-3(5(10)7-12)1-2-4(9)6-11/h1-2H2
InChIKeyIXTAGXOFIPMBGM-UHFFFAOYSA-N
XLogP-0.08
TPSA110.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,4-dioxopentanamide
CID 87531074
N-oxobutanamide
CID 87293137
2-oxopentanedioyl diazide
CID 142765707
3-methoxy-N-oxopropanamide
CID 89105235
N,5-dioxohexanamide
CID 146976894
8-bromo-N-oxooctanamide
CID 118895802
N-oxotetradecanamide
CID 87730431
N-oxooctanamide
CID 87234486
2-amino-N-oxoacetamide
CID 173469497
4-amino-4-cyano-N-oxopentanamide
CID 134513559
2-(ethylamino)-N-oxoacetamide
CID 138632842
1-hydroxy-2-nitrosopent-1-en-3-one
CID 154478535

Frequently Asked Questions

What is the IUPAC name of N,N',2-trioxopentanediamide?
The IUPAC name of N,N',2-trioxopentanediamide (CID 88556785) is N,N',2-trioxopentanediamide.
What is the SMILES notation for N,N',2-trioxopentanediamide?
The canonical SMILES for N,N',2-trioxopentanediamide is O=NC(=O)CCC(=O)C(=O)N=O.
What is the InChIKey of N,N',2-trioxopentanediamide?
The InChIKey is IXTAGXOFIPMBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O5/c8-3(5(10)7-12)1-2-4(9)6-11/h1-2H2.
What are the key properties of N,N',2-trioxopentanediamide?
N,N',2-trioxopentanediamide has a molecular weight of 172.10 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trioxopentanediamide is sourced from PubChem (CID 88556785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).