ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate

C8H16N2O2 — CID 103261017

IUPACethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate
SMILESC=C(CNN(C)C)C(=O)OCC
InChIInChI=1S/C8H16N2O2/c1-5-12-8(11)7(2)6-9-10(3)4/h9H,2,5-6H2,1,3-4H3
InChIKeyVYHOQUKBYSTSAR-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.17
Rot. Bonds5

About ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate

ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate (PubChem CID 103261017) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate
PubChem CID103261017
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate
SMILESC=C(CNN(C)C)C(=O)OCC
InChIInChI=1S/C8H16N2O2/c1-5-12-8(11)7(2)6-9-10(3)4/h9H,2,5-6H2,1,3-4H3
InChIKeyVYHOQUKBYSTSAR-UHFFFAOYSA-N
XLogP0.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.17
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 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate
CID 103249346
ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate
CID 103262400
ethyl 2-[[4-(dimethylamino)butylamino]methyl]prop-2-enoate
CID 103244790
ethyl 2-[(3-oxobutanoylamino)methyl]prop-2-enoate
CID 141340682
bis(ethyl 2-methylidenebutanoate);propanedioic acid
CID 87587562
ethyl 2,4-dimethylidene-5-oxohexanoate
CID 11116678
ethyl 2-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]prop-2-enoate
CID 103261510
ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051
barium(2+);3-ethoxycarbonylbut-3-enoic acid;hydride
CID 173454409
ethyl 2-[(2,3-dihydroxypropylamino)methyl]prop-2-enoate
CID 103256238
ethyl 2-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]prop-2-enoate
CID 106178121
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate (CID 103261017) is ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate is C=C(CNN(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate?
The InChIKey is VYHOQUKBYSTSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5-12-8(11)7(2)6-9-10(3)4/h9H,2,5-6H2,1,3-4H3.
What are the key properties of ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate?
ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate has a molecular weight of 172.23 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate is sourced from PubChem (CID 103261017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).