N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide

C9H16N4O3 — CID 102248455

IUPACN-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCNC(=O)C(=O)NN(C)C
InChIInChI=1S/C9H16N4O3/c1-6(2)7(14)10-5-11-8(15)9(16)12-13(3)4/h1,5H2,2-4H3,(H,10,14)(H,11,15)(H,12,16)
InChIKeyRESMEYGYOBRPJR-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.65
Rot. Bonds4

About N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide

N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide (PubChem CID 102248455) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide
PubChem CID102248455
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCNC(=O)C(=O)NN(C)C
InChIInChI=1S/C9H16N4O3/c1-6(2)7(14)10-5-11-8(15)9(16)12-13(3)4/h1,5H2,2-4H3,(H,10,14)(H,11,15)(H,12,16)
InChIKeyRESMEYGYOBRPJR-UHFFFAOYSA-N
XLogP-1.65
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(2-Methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea
CID 54201782
2-methyl-N'-propyl-N'-[2,3,3-tris(methylamino)prop-2-enoyl]prop-2-enehydrazide
CID 88023248

Frequently Asked Questions

What is the IUPAC name of N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide?
The IUPAC name of N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide (CID 102248455) is N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCNC(=O)C(=O)NN(C)C.
What is the InChIKey of N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide?
The InChIKey is RESMEYGYOBRPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-6(2)7(14)10-5-11-8(15)9(16)12-13(3)4/h1,5H2,2-4H3,(H,10,14)(H,11,15)(H,12,16).
What are the key properties of N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide?
N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide has a molecular weight of 228.25 g/mol, XLogP of -1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide is sourced from PubChem (CID 102248455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).