methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate

C9H18N2O2 — CID 103260991

IUPACmethyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate
SMILESCCC(=CCNN(C)C)C(=O)OC
InChIInChI=1S/C9H18N2O2/c1-5-8(9(12)13-4)6-7-10-11(2)3/h6,10H,5,7H2,1-4H3
InChIKeyJMNUTXBNYFDPOJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.56
Rot. Bonds5

About methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate

methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate (PubChem CID 103260991) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate
PubChem CID103260991
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate
SMILESCCC(=CCNN(C)C)C(=O)OC
InChIInChI=1S/C9H18N2O2/c1-5-8(9(12)13-4)6-7-10-11(2)3/h6,10H,5,7H2,1-4H3
InChIKeyJMNUTXBNYFDPOJ-UHFFFAOYSA-N
XLogP0.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.56
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 4-(2,2-dimethylhydrazinyl)-2-ethylbut-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

Related Compounds

Tert-butyl 6-(2,2-dimethylhydrazinyl)-2-methylidenehex-4-enoate
CID 174846570
Methyl 2-ethyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate
CID 77101899
Methyl 2-ethyl-4-[methyl-[3-(methylamino)propyl]amino]but-2-enoate
CID 80396275
Methyl 2-ethyl-4-(methylamino)but-2-enoate
CID 103230258
methyl (Z)-2-ethyl-4-(ethylamino)but-2-enoate
CID 103230361
methyl (Z)-2-ethyl-4-(prop-2-enylamino)but-2-enoate
CID 103230603
methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate
CID 103234082
methyl (Z)-2-ethyl-4-(propylamino)but-2-enoate
CID 103235094
Methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate
CID 103235264
Methyl 4-[3-(dimethylamino)propylamino]-2-ethylbut-2-enoate
CID 103235961
Methyl 4-[4-(dimethylamino)butylamino]-2-ethylbut-2-enoate
CID 103244765
Methyl 4-(3-aminopropylamino)-2-ethylbut-2-enoate
CID 103248104

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate?
The IUPAC name of methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate (CID 103260991) is methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate.
What is the SMILES notation for methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate?
The canonical SMILES for methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate is CCC(=CCNN(C)C)C(=O)OC.
What is the InChIKey of methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate?
The InChIKey is JMNUTXBNYFDPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-5-8(9(12)13-4)6-7-10-11(2)3/h6,10H,5,7H2,1-4H3.
What are the key properties of methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate?
methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate is sourced from PubChem (CID 103260991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).