[2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea

C7H12N4O3 — CID 54201782

IUPAC[2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea
SMILESC=C(C)C(=O)NNC(=O)CNC(N)=O
InChIInChI=1S/C7H12N4O3/c1-4(2)6(13)11-10-5(12)3-9-7(8)14/h1,3H2,2H3,(H,10,12)(H,11,13)(H3,8,9,14)
InChIKeyPPTGBXFKOHCLAS-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.62
Rot. Bonds3

About [2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea

[2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea (PubChem CID 54201782) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is [2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea
PubChem CID54201782
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name[2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea
SMILESC=C(C)C(=O)NNC(=O)CNC(N)=O
InChIInChI=1S/C7H12N4O3/c1-4(2)6(13)11-10-5(12)3-9-7(8)14/h1,3H2,2H3,(H,10,12)(H,11,13)(H3,8,9,14)
InChIKeyPPTGBXFKOHCLAS-UHFFFAOYSA-N
XLogP-1.62
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydrazinyl-2-oxoethyl)-2-methylprop-2-enamide
CID 22354204
2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide
CID 87372712
Glycine, N-(2-methyl-1-oxo-2-propen-1-yl)glycyl-, hydrazide
CID 87658348
N-carbamoyl-N-(2-hydrazinyl-2-oxoethyl)-2-methylprop-2-enamide
CID 88236744
N-(2-hydrazinyl-2-oxoethyl)-2-methylprop-2-enamide;hydrochloride
CID 88298248
ethane;N-[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide
CID 153539384
N-(2-aminoacetyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methylprop-2-enamide
CID 175521200
N-[[[2-(2,2-dimethylhydrazinyl)-2-oxoacetyl]amino]methyl]-2-methylprop-2-enamide
CID 102248455

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea?
The IUPAC name of [2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea (CID 54201782) is [2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea?
The canonical SMILES for [2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea is C=C(C)C(=O)NNC(=O)CNC(N)=O.
What is the InChIKey of [2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea?
The InChIKey is PPTGBXFKOHCLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-4(2)6(13)11-10-5(12)3-9-7(8)14/h1,3H2,2H3,(H,10,12)(H,11,13)(H3,8,9,14).
What are the key properties of [2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea?
[2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea has a molecular weight of 200.20 g/mol, XLogP of -1.62, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea is sourced from PubChem (CID 54201782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).