methyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate

C10H16N2O3 — CID 72585951

IUPACmethyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate
SMILESCOC(=O)C(C)=C(C)C(C)=NNC(C)=O
InChIInChI=1S/C10H16N2O3/c1-6(7(2)10(14)15-5)8(3)11-12-9(4)13/h1-5H3,(H,12,13)
InChIKeyHPAISXFTALWZCU-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.01
Rot. Bonds3

About methyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate

methyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate (PubChem CID 72585951) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate.

Molecular Properties

Compound Namemethyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate
PubChem CID72585951
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate
SMILESCOC(=O)C(C)=C(C)C(C)=NNC(C)=O
InChIInChI=1S/C10H16N2O3/c1-6(7(2)10(14)15-5)8(3)11-12-9(4)13/h1-5H3,(H,12,13)
InChIKeyHPAISXFTALWZCU-UHFFFAOYSA-N
XLogP1.01
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

dimethyl 2,3,4,5-tetramethylhexa-2,4-dienedioate
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methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate
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methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate
CID 15971438
dimethyl oxalate
CID 11120
methyl (2E,3E)-3-(carbamoylhydrazinylidene)-2-(nitromethylidene)butanoate
CID 15422151
methyl N-[(E)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]carbamate
CID 136643574
methyl (E)-2,3,4-trimethylpent-2-enoate
CID 122645067
sodium 1,3-dimethoxy-2-methyl-3-oxoprop-1-en-1-olate
CID 23691555
N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide
CID 152519841
dimethyl oxalate;hydrochloride
CID 172754902
methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate
CID 166928500
N-[[amino-(hydroxyamino)methylidene]amino]acetamide
CID 151292898

Frequently Asked Questions

What is the IUPAC name of methyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate?
The IUPAC name of methyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate (CID 72585951) is methyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate.
What is the SMILES notation for methyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate?
The canonical SMILES for methyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate is COC(=O)C(C)=C(C)C(C)=NNC(C)=O.
What is the InChIKey of methyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate?
The InChIKey is HPAISXFTALWZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6(7(2)10(14)15-5)8(3)11-12-9(4)13/h1-5H3,(H,12,13).
What are the key properties of methyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate?
methyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate has a molecular weight of 212.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(acetylhydrazinylidene)-2,3-dimethylpent-2-enoate is sourced from PubChem (CID 72585951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).