methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate

C10H14N4O2 — CID 139453472

IUPACmethylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate
SMILES[H]/N=C(\ONC)C(=O)NNCc1ccccc1
InChIInChI=1S/C10H14N4O2/c1-12-16-9(11)10(15)14-13-7-8-5-3-2-4-6-8/h2-6,11-13H,7H2,1H3,(H,14,15)/b11-9-
InChIKeyGJYSUWRNSMOUQK-LUAWRHEFSA-N
MW222.25 g/mol
LogP-0.06
Rot. Bonds4

About methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate

methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate (PubChem CID 139453472) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate.

Molecular Properties

Compound Namemethylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate
PubChem CID139453472
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Namemethylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate
SMILES[H]/N=C(\ONC)C(=O)NNCc1ccccc1
InChIInChI=1S/C10H14N4O2/c1-12-16-9(11)10(15)14-13-7-8-5-3-2-4-6-8/h2-6,11-13H,7H2,1H3,(H,14,15)/b11-9-
InChIKeyGJYSUWRNSMOUQK-LUAWRHEFSA-N
XLogP-0.06
TPSA86.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-2-methylprop-2-enehydrazide
CID 175049559
bis(2-benzylhydrazinyl) oxalate
CID 66992005
(2R)-N'-benzyl-2-phenoxypropanehydrazide
CID 93092168
N'-benzyl-4,4-dimethylpentanehydrazide
CID 22069131
3-(1-aminoethylideneamino)-N-benzyl-2-iminobut-3-enamide
CID 90730228
N'-benzylhexadecanehydrazide
CID 154391297
tert-butyl N-(2-benzylhydrazinyl)carbamate
CID 69172873
carbamimidoyl N-benzylcarbamate
CID 68502456
N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide
CID 67841632
[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid
CID 68685259
(2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide
CID 3048066
benzyl N-(C-methoxycarbonimidoyl)carbamate
CID 139267837

Frequently Asked Questions

What is the IUPAC name of methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate?
The IUPAC name of methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate (CID 139453472) is methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate.
What is the SMILES notation for methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate?
The canonical SMILES for methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate is [H]/N=C(\ONC)C(=O)NNCc1ccccc1.
What is the InChIKey of methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate?
The InChIKey is GJYSUWRNSMOUQK-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-12-16-9(11)10(15)14-13-7-8-5-3-2-4-6-8/h2-6,11-13H,7H2,1H3,(H,14,15)/b11-9-.
What are the key properties of methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate?
methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate has a molecular weight of 222.25 g/mol, XLogP of -0.06, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 2-(2-benzylhydrazinyl)-2-oxoethanimidate is sourced from PubChem (CID 139453472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).