diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate

C10H18N2O4 — CID 13114146

IUPACdiethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate
SMILESCCOC(=O)C(=CNN(C)C)C(=O)OCC
InChIInChI=1S/C10H18N2O4/c1-5-15-9(13)8(7-11-12(3)4)10(14)16-6-2/h7,11H,5-6H2,1-4H3
InChIKeyUWMBMQKVBUJBNZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.06
Rot. Bonds6

About diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate

diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate (PubChem CID 13114146) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate
PubChem CID13114146
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namediethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate
SMILESCCOC(=O)C(=CNN(C)C)C(=O)OCC
InChIInChI=1S/C10H18N2O4/c1-5-15-9(13)8(7-11-12(3)4)10(14)16-6-2/h7,11H,5-6H2,1-4H3
InChIKeyUWMBMQKVBUJBNZ-UHFFFAOYSA-N
XLogP0.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-(ethylaminomethylidene)propanedioate
CID 13197984
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CID 2839461
diethyl 2-[(pentylamino)methylidene]propanedioate
CID 87770755
ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate
CID 143226823
acetylene;diethyl 2-ethylidenepropanedioate
CID 90822746
1-O,1-O-diethyl 2-O-methyl ethene-1,1,2-tricarboxylate
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diethyl 2-(3-oxopropylidene)propanedioate
CID 24973386
diethyl 2-(2-ethoxyethylidene)propanedioate
CID 54239244
diethyl 2-ethylidene-3-oxobutanedioate
CID 123295779
diethyl 2-(methoxymethylidene)propanedioate
CID 3016162
diethyl 2-(3-methylbut-2-enylidene)propanedioate
CID 10987948
ethyl (2E)-2-(dimethylaminomethylidene)-4-methyl-3-oxopentanoate
CID 14003879

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate?
The IUPAC name of diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate (CID 13114146) is diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate.
What is the SMILES notation for diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate?
The canonical SMILES for diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate is CCOC(=O)C(=CNN(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate?
The InChIKey is UWMBMQKVBUJBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-5-15-9(13)8(7-11-12(3)4)10(14)16-6-2/h7,11H,5-6H2,1-4H3.
What are the key properties of diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate?
diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate has a molecular weight of 230.26 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate is sourced from PubChem (CID 13114146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).