4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid

C8H14N2O3 — CID 83003584

IUPAC4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid
SMILESCC(C(=O)O)=C(C)C(=O)NN(C)C
InChIInChI=1S/C8H14N2O3/c1-5(6(2)8(12)13)7(11)9-10(3)4/h1-4H3,(H,9,11)(H,12,13)
InChIKeyJFZBQAGBUNAGJT-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.00
Rot. Bonds3

About 4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid

4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid (PubChem CID 83003584) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid
PubChem CID83003584
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid
SMILESCC(C(=O)O)=C(C)C(=O)NN(C)C
InChIInChI=1S/C8H14N2O3/c1-5(6(2)8(12)13)7(11)9-10(3)4/h1-4H3,(H,9,11)(H,12,13)
InChIKeyJFZBQAGBUNAGJT-UHFFFAOYSA-N
XLogP0.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.00
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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Launch Full Analysis

Related Compounds

1-N',1-N',2-N',2-N'-tetramethylethanedihydrazide
CID 7039174
(Z)-2,3-dimethylbut-2-enedioic acid
CID 88647549
CID 159556955
CID 159556955
sodium;(Z)-2,3-dimethylbut-2-enedioic acid;hydride
CID 175588554
2,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 76992428
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107847570
(2E)-2,3,4-trimethylhexa-2,4-dienoic acid
CID 59888264
2,3-dimethyl-4-oxo-4-(2,2,2-trifluoroethylamino)but-2-enoic acid
CID 76991747
N',N',5,5-tetramethyl-2,4-dioxohexanehydrazide
CID 139707468
4-[[cyclohexyl(methyl)carbamoyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992058
2,3-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobut-2-enoic acid
CID 76991668
4-(3,3-dimethylbutan-2-ylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 104827527

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid?
The IUPAC name of 4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid (CID 83003584) is 4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid.
What is the SMILES notation for 4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid?
The canonical SMILES for 4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid is CC(C(=O)O)=C(C)C(=O)NN(C)C.
What is the InChIKey of 4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid?
The InChIKey is JFZBQAGBUNAGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(6(2)8(12)13)7(11)9-10(3)4/h1-4H3,(H,9,11)(H,12,13).
What are the key properties of 4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid?
4-(2,2-dimethylhydrazinyl)-2,3-dimethyl-4-oxobut-2-enoic acid has a molecular weight of 186.21 g/mol, XLogP of 0.00, 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)-2,3-dimethyl-4-oxobut-2-enoic acid is sourced from PubChem (CID 83003584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).