ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate

C7H14N2O2 — CID 143226823

IUPACethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate
SMILESCCOC(=O)C=CNN(C)C
InChIInChI=1S/C7H14N2O2/c1-4-11-7(10)5-6-8-9(2)3/h5-6,8H,4H2,1-3H3
InChIKeyWRNSAASNJQPKOJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.13
Rot. Bonds4

About ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate

ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate (PubChem CID 143226823) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate
PubChem CID143226823
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate
SMILESCCOC(=O)C=CNN(C)C
InChIInChI=1S/C7H14N2O2/c1-4-11-7(10)5-6-8-9(2)3/h5-6,8H,4H2,1-3H3
InChIKeyWRNSAASNJQPKOJ-UHFFFAOYSA-N
XLogP0.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (E)-4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enoate
CID 163486572
ethyl (Z)-3-formamidoprop-2-enoate
CID 55288302
ethyl (E)-3-[methoxycarbonyl(methyl)amino]prop-2-enoate
CID 71619831
ethyl 3-(ethoxyamino)prop-2-enoate;hydrochloride
CID 173062776
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
ethyl (Z)-4-oxohex-2-enoate
CID 10725597
ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate
CID 71619731
ethyl (Z)-4-amino-4-oxobut-2-enoate
CID 87434500
diethyl (2E,5E)-4-oxohepta-2,5-dienedioate
CID 10922203
6-O-ethyl 1-O-methyl (2E,4E)-hexa-2,4-dienedioate
CID 87458458
diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate
CID 13114146

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate?
The IUPAC name of ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate (CID 143226823) is ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate is CCOC(=O)C=CNN(C)C.
What is the InChIKey of ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate?
The InChIKey is WRNSAASNJQPKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4-11-7(10)5-6-8-9(2)3/h5-6,8H,4H2,1-3H3.
What are the key properties of ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate?
ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate is sourced from PubChem (CID 143226823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).