2,4-dioxopentanimidamide

C5H8N2O2 — CID 141143667

IUPAC2,4-dioxopentanimidamide
SMILES[H]/N=C(\N)C(=O)CC(C)=O
InChIInChI=1S/C5H8N2O2/c1-3(8)2-4(9)5(6)7/h2H2,1H3,(H3,6,7)
InChIKeyCKZGCUDWKUBLLH-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.53
Rot. Bonds3

About 2,4-dioxopentanimidamide

2,4-dioxopentanimidamide (PubChem CID 141143667) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2,4-dioxopentanimidamide.

Molecular Properties

Compound Name2,4-dioxopentanimidamide
PubChem CID141143667
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name2,4-dioxopentanimidamide
SMILES[H]/N=C(\N)C(=O)CC(C)=O
InChIInChI=1S/C5H8N2O2/c1-3(8)2-4(9)5(6)7/h2H2,1H3,(H3,6,7)
InChIKeyCKZGCUDWKUBLLH-UHFFFAOYSA-N
XLogP-0.53
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethanimidamide;titanium(4+);tetraacetate
CID 158045448
Lithium pentane-2,4-dione
CID 86735745
ethanimidamide;propan-2-one;vanadium
CID 159949516
azane;3-oxobutanamide
CID 172802770
2-iminopropanimidamide
CID 174066114
ethanimidamide;propan-2-one;titanium
CID 158445220
ethyl 2-amino-2-iminoacetate
CID 19017716
ethanimidamide;guanidine
CID 160661984
ethanimidamide;tetrakis(2-oxopropanoate);titanium(4+)
CID 158288626
silver 2,4-dioxopentanoate
CID 87329053
2,4-dioxopentanoic acid;gadolinium
CID 87456221
2,4-dioxopentanoic acid;palladium
CID 87130936

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxopentanimidamide?
The IUPAC name of 2,4-dioxopentanimidamide (CID 141143667) is 2,4-dioxopentanimidamide.
What is the SMILES notation for 2,4-dioxopentanimidamide?
The canonical SMILES for 2,4-dioxopentanimidamide is [H]/N=C(\N)C(=O)CC(C)=O.
What is the InChIKey of 2,4-dioxopentanimidamide?
The InChIKey is CKZGCUDWKUBLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-3(8)2-4(9)5(6)7/h2H2,1H3,(H3,6,7).
What are the key properties of 2,4-dioxopentanimidamide?
2,4-dioxopentanimidamide has a molecular weight of 128.13 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxopentanimidamide is sourced from PubChem (CID 141143667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).