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

C8H16N2O2 — CID 10057986

IUPACethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate
SMILESCCOC(=O)/C=C(\C)NN(C)C
InChIInChI=1S/C8H16N2O2/c1-5-12-8(11)6-7(2)9-10(3)4/h6,9H,5H2,1-4H3/b7-6+
InChIKeyDMRHWSLUTHXPPA-VOTSOKGWSA-N
MW172.23 g/mol
LogP0.52
Rot. Bonds4

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

ethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate (PubChem CID 10057986) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate
PubChem CID10057986
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate
SMILESCCOC(=O)/C=C(\C)NN(C)C
InChIInChI=1S/C8H16N2O2/c1-5-12-8(11)6-7(2)9-10(3)4/h6,9H,5H2,1-4H3/b7-6+
InChIKeyDMRHWSLUTHXPPA-VOTSOKGWSA-N
XLogP0.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.52
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

methyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate
CID 88630707
ethyl (E)-4-(2,2-dimethylhydrazinyl)-4-oxobut-2-enoate
CID 163486572
ethyl (E)-3-[3-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]propylamino]but-2-enoate
CID 5291465
ethyl 3-(2-hydroxyethylamino)but-2-enoate
CID 5235449
ethyl (E)-3-[4-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]anilino]but-2-enoate
CID 5379118
ethyl 3-hydroxybut-2-enoate
CID 54692957
ethyl (Z)-3-(dimethylamino)-3-ethoxyprop-2-enoate
CID 5364113
ethyl (Z)-3-[2-[bis(2-hydroxyethyl)amino]ethylamino]but-2-enoate
CID 88725570
4-O-ethyl 1-O-methyl (E)-2-methylbut-2-enedioate
CID 15441035
ethyl (E)-3-(2,2-dimethoxyethylamino)but-2-enoate
CID 11746064
2-[[2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]acetyl]amino]acetic acid
CID 74053756
ethyl (E)-3-(cyclohexylamino)but-2-enoate
CID 15555337

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate?
The IUPAC name of ethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate (CID 10057986) is ethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate?
The canonical SMILES for ethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate is CCOC(=O)/C=C(\C)NN(C)C.
What is the InChIKey of ethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate?
The InChIKey is DMRHWSLUTHXPPA-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5-12-8(11)6-7(2)9-10(3)4/h6,9H,5H2,1-4H3/b7-6+.
What are the key properties of ethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate?
ethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate has a molecular weight of 172.23 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2,2-dimethylhydrazinyl)but-2-enoate is sourced from PubChem (CID 10057986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).