methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate

C7H14N2O2 — CID 88630707

IUPACmethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate
SMILESCOC(=O)/C=C(\C)NN(C)C
InChIInChI=1S/C7H14N2O2/c1-6(8-9(2)3)5-7(10)11-4/h5,8H,1-4H3/b6-5+
InChIKeyMEFCRZOOCKJWMB-AATRIKPKSA-N
MW158.20 g/mol
LogP0.13
Rot. Bonds3

About methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate

methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate (PubChem CID 88630707) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate
PubChem CID88630707
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate
SMILESCOC(=O)/C=C(\C)NN(C)C
InChIInChI=1S/C7H14N2O2/c1-6(8-9(2)3)5-7(10)11-4/h5,8H,1-4H3/b6-5+
InChIKeyMEFCRZOOCKJWMB-AATRIKPKSA-N
XLogP0.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate
CID 10057986
methyl (E)-3-(ethylamino)but-2-enoate
CID 22895227
methyl 3-hydroxybut-2-enoate
CID 54691070
methyl (Z)-3-(propanoylamino)but-2-enoate
CID 121227364
methyl (Z)-3-(prop-2-enylamino)but-2-enoate
CID 14025142
methyl 3-(propanoylamino)but-2-enoate
CID 130719515
methyl (E)-3-[(2-chloroacetyl)amino]but-2-enoate
CID 19166642
methyl (E)-3-[[(2S)-2-hydroxypropyl]amino]but-2-enoate
CID 13220319
methyl (E)-3-methyl-4-oxobut-2-enoate
CID 10953519
methyl (Z)-3-methylpent-2-enoate
CID 12524083
dimethyl 2-methylbut-2-enedioate
CID 12045
1-O-(dimethylcarbamoyl) 4-O-methyl (E)-2-methylbut-2-enedioate
CID 160975719

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate?
The IUPAC name of methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate (CID 88630707) is methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate.
What is the SMILES notation for methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate?
The canonical SMILES for methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate is COC(=O)/C=C(\C)NN(C)C.
What is the InChIKey of methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate?
The InChIKey is MEFCRZOOCKJWMB-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(8-9(2)3)5-7(10)11-4/h5,8H,1-4H3/b6-5+.
What are the key properties of methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate?
methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate is sourced from PubChem (CID 88630707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).