4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide

C6H11N3O2 — CID 154119475

IUPAC4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide
SMILESCN(C)NC(=O)C=CC(N)=O
InChIInChI=1S/C6H11N3O2/c1-9(2)8-6(11)4-3-5(7)10/h3-4H,1-2H3,(H2,7,10)(H,8,11)
InChIKeyWWLXSWOZDYBPFJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.38
Rot. Bonds3

About 4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide

4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide (PubChem CID 154119475) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide.

Molecular Properties

Compound Name4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide
PubChem CID154119475
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide
SMILESCN(C)NC(=O)C=CC(N)=O
InChIInChI=1S/C6H11N3O2/c1-9(2)8-6(11)4-3-5(7)10/h3-4H,1-2H3,(H2,7,10)(H,8,11)
InChIKeyWWLXSWOZDYBPFJ-UHFFFAOYSA-N
XLogP-1.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
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

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N'-but-2-enoylbut-2-enehydrazide
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1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
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CID 146190
Maleohydrazide
CID 19058
N'-acetylprop-2-enehydrazide
CID 15120467
Crotonic 2,2-dimethylhydrazide
CID 21704825
Einecs 265-780-9
CID 6455141

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide?
The IUPAC name of 4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide (CID 154119475) is 4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide.
What is the SMILES notation for 4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide?
The canonical SMILES for 4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide is CN(C)NC(=O)C=CC(N)=O.
What is the InChIKey of 4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide?
The InChIKey is WWLXSWOZDYBPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-9(2)8-6(11)4-3-5(7)10/h3-4H,1-2H3,(H2,7,10)(H,8,11).
What are the key properties of 4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide?
4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide has a molecular weight of 157.17 g/mol, XLogP of -1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enamide is sourced from PubChem (CID 154119475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).