N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide

C14H16N4O2 — CID 59403637

IUPACN-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide
SMILES[H]/N=C(/C(=O)C1CCCC1=O)N(Cc1ccccc1)/N=N/[H]
InChIInChI=1S/C14H16N4O2/c15-14(13(20)11-7-4-8-12(11)19)18(17-16)9-10-5-2-1-3-6-10/h1-3,5-6,11,15-16H,4,7-9H2/b15-14-,17-16+
InChIKeyDHFOYXLURKXOFM-PEMGLXIVSA-N
MW272.31 g/mol
LogP2.35
Rot. Bonds5

About N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide

N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide (PubChem CID 59403637) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide.

Molecular Properties

Compound NameN-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide
PubChem CID59403637
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide
SMILES[H]/N=C(/C(=O)C1CCCC1=O)N(Cc1ccccc1)/N=N/[H]
InChIInChI=1S/C14H16N4O2/c15-14(13(20)11-7-4-8-12(11)19)18(17-16)9-10-5-2-1-3-6-10/h1-3,5-6,11,15-16H,4,7-9H2/b15-14-,17-16+
InChIKeyDHFOYXLURKXOFM-PEMGLXIVSA-N
XLogP2.35
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

benzyl (1S)-2-oxocyclohexane-1-carboxylate
CID 69403132
phenyl N-diazenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamimidothioate
CID 142597201
N-benzyl-N-diazenylaniline
CID 135121758
2-(2-oxocyclohexyl)-2-phenylacetic acid
CID 13284199
N,N-dibenzylcyclopropanecarboximidamide
CID 63175386
(NZ)-N-[2-(dibenzylamino)cyclopentylidene]hydroxylamine
CID 6382875
benzyl (1S)-2-oxocyclobutane-1-carboxylate
CID 66868456
2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one
CID 138965375
benzyl-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl]carbamic acid
CID 70047293
2-oxocyclopentane-1-carbothioic S-acid
CID 19374959
4-oxo-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 53249825
1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione
CID 10683077

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide?
The IUPAC name of N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide (CID 59403637) is N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide.
What is the SMILES notation for N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide?
The canonical SMILES for N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide is [H]/N=C(/C(=O)C1CCCC1=O)N(Cc1ccccc1)/N=N/[H].
What is the InChIKey of N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide?
The InChIKey is DHFOYXLURKXOFM-PEMGLXIVSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-14(13(20)11-7-4-8-12(11)19)18(17-16)9-10-5-2-1-3-6-10/h1-3,5-6,11,15-16H,4,7-9H2/b15-14-,17-16+.
What are the key properties of N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide?
N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide has a molecular weight of 272.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide is sourced from PubChem (CID 59403637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).