N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide

C9H16N4O3 — CID 77075586

IUPACN'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide
SMILESCN1C(=O)CC(NCCCC(N)=NO)C1=O
InChIInChI=1S/C9H16N4O3/c1-13-8(14)5-6(9(13)15)11-4-2-3-7(10)12-16/h6,11,16H,2-5H2,1H3,(H2,10,12)
InChIKeyKNFFRZBFNZGNNI-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.14
Rot. Bonds5

About N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide

N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide (PubChem CID 77075586) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide
PubChem CID77075586
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide
SMILESCN1C(=O)CC(NCCCC(N)=NO)C1=O
InChIInChI=1S/C9H16N4O3/c1-13-8(14)5-6(9(13)15)11-4-2-3-7(10)12-16/h6,11,16H,2-5H2,1H3,(H2,10,12)
InChIKeyKNFFRZBFNZGNNI-UHFFFAOYSA-N
XLogP-1.14
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide (CID 77075586) is N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide is CN1C(=O)CC(NCCCC(N)=NO)C1=O.
What is the InChIKey of N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide?
The InChIKey is KNFFRZBFNZGNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-13-8(14)5-6(9(13)15)11-4-2-3-7(10)12-16/h6,11,16H,2-5H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide?
N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide has a molecular weight of 228.25 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide is sourced from PubChem (CID 77075586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).