N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide

C8H11N3O3 — CID 130922732

IUPACN-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide
SMILESCC(=O)/N=C/C(=N\C(C)=O)NC(C)=O
InChIInChI=1S/C8H11N3O3/c1-5(12)9-4-8(10-6(2)13)11-7(3)14/h4H,1-3H3,(H,10,11,13,14)/b9-4+
InChIKeyVFALFYBLNPIEMS-RUDMXATFSA-N
MW197.19 g/mol
LogP-0.32
Rot. Bonds1

About N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide

N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide (PubChem CID 130922732) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide.

Molecular Properties

Compound NameN-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide
PubChem CID130922732
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide
SMILESCC(=O)/N=C/C(=N\C(C)=O)NC(C)=O
InChIInChI=1S/C8H11N3O3/c1-5(12)9-4-8(10-6(2)13)11-7(3)14/h4H,1-3H3,(H,10,11,13,14)/b9-4+
InChIKeyVFALFYBLNPIEMS-RUDMXATFSA-N
XLogP-0.32
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-acetyliminoacetic acid
CID 131637969
N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide
CID 142272541
N-acetyl-2-methyliminoacetamide
CID 142043007
tris(N-acetylacetamide);gallane
CID 175572719
N-ethylideneacetamide
CID 21338179
S-amino N-acetylcarbamothioate
CID 130016422
N-[(E)-4-oxobut-2-en-2-yl]acetamide
CID 89080248
N-[(E)-2-oxopropylideneamino]acetamide
CID 59676388
N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide
CID 135446475
ethane;N-ethanethioylacetamide
CID 142038658
N-[(2Z)-3-methyl-2-propylpenta-2,4-dienylidene]acetamide
CID 138703081
N-[N-(ethylidenecarbamoyl)-C-methylcarbonimidoyl]-2-methylprop-2-enamide
CID 174499070

Frequently Asked Questions

What is the IUPAC name of N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide?
The IUPAC name of N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide (CID 130922732) is N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide.
What is the SMILES notation for N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide?
The canonical SMILES for N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide is CC(=O)/N=C/C(=N\C(C)=O)NC(C)=O.
What is the InChIKey of N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide?
The InChIKey is VFALFYBLNPIEMS-RUDMXATFSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(12)9-4-8(10-6(2)13)11-7(3)14/h4H,1-3H3,(H,10,11,13,14)/b9-4+.
What are the key properties of N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide?
N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide has a molecular weight of 197.19 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-acetyl-C-(acetyliminomethyl)carbonimidoyl]acetamide is sourced from PubChem (CID 130922732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).