ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate

C8H15N3O2 — CID 166767336

IUPACethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate
SMILESC=NN/C(=C\N(C)C)C(=O)OCC
InChIInChI=1S/C8H15N3O2/c1-5-13-8(12)7(10-9-2)6-11(3)4/h6,10H,2,5H2,1,3-4H3/b7-6-
InChIKeyYHHJPYGHHCDLID-SREVYHEPSA-N
MW185.23 g/mol
LogP0.16
Rot. Bonds5

About ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate

ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate (PubChem CID 166767336) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate
PubChem CID166767336
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Nameethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate
SMILESC=NN/C(=C\N(C)C)C(=O)OCC
InChIInChI=1S/C8H15N3O2/c1-5-13-8(12)7(10-9-2)6-11(3)4/h6,10H,2,5H2,1,3-4H3/b7-6-
InChIKeyYHHJPYGHHCDLID-SREVYHEPSA-N
XLogP0.16
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(dimethylamino)-2-methylprop-2-enoate
CID 54270575
ethyl 3-(dimethylamino)-2-methoxyprop-2-enoate
CID 142611007
ethyl (Z)-3-(dimethylamino)-2-[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]sulfanylcarbothioylsulfanylprop-2-enoate
CID 140906882
ethyl 3-(dimethylamino)-2-isocyanatoprop-2-enoate
CID 54395864
ethyl (2Z,4E)-2-cyano-5-(dimethylamino)-3-ethoxy-4-methylpenta-2,4-dienoate
CID 156715054
ethyl (2E)-2-(dimethylaminomethylidene)-4-methyl-3-oxopentanoate
CID 14003879
ethyl (3E)-3-(dimethylaminomethylidene)-2-oxohexanoate
CID 87523307
ethyl 3-(dimethylamino)-2-(dimethylsulfamoyl)prop-2-enoate
CID 123281990
ethyl N-(dimethylaminomethylideneamino)carbamate
CID 54558834
ethyl 2-(dimethylaminomethylidene)-4,4-diethoxy-3-oxobutanoate
CID 123925064
ethyl 2-(dimethylaminomethylidene)-4,4,4-trifluorobutanoate
CID 150951259
ethyl 2-(ethoxycarbonylamino)but-2-enoate
CID 174562538

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate (CID 166767336) is ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate is C=NN/C(=C\N(C)C)C(=O)OCC.
What is the InChIKey of ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate?
The InChIKey is YHHJPYGHHCDLID-SREVYHEPSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5-13-8(12)7(10-9-2)6-11(3)4/h6,10H,2,5H2,1,3-4H3/b7-6-.
What are the key properties of ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate?
ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate has a molecular weight of 185.23 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(dimethylamino)-2-(2-methylidenehydrazinyl)prop-2-enoate is sourced from PubChem (CID 166767336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).