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'}

Analyze methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).