ethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate

C11H19NO2 — CID 58644957

IUPACethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate
SMILESCCOC(=O)/C(=C\C=C\N(C)C)CC
InChIInChI=1S/C11H19NO2/c1-5-10(11(13)14-6-2)8-7-9-12(3)4/h7-9H,5-6H2,1-4H3/b9-7+,10-8-
InChIKeyTZPGCCGHOQPSBE-ZWOQCJTASA-N
MW197.28 g/mol
LogP1.96
Rot. Bonds5

About ethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate

ethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate (PubChem CID 58644957) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate
PubChem CID58644957
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate
SMILESCCOC(=O)/C(=C\C=C\N(C)C)CC
InChIInChI=1S/C11H19NO2/c1-5-10(11(13)14-6-2)8-7-9-12(3)4/h7-9H,5-6H2,1-4H3/b9-7+,10-8-
InChIKeyTZPGCCGHOQPSBE-ZWOQCJTASA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate
CID 6385627
ethyl (2E,4E,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-2,4,7,10,13,16,19-heptaenoate
CID 25008049
[(1Z,3E)-4-ethoxycarbonylhexa-1,3-dienyl]-hydroxy-methylazanium;ethyl formate
CID 142808907
ethyl 2-(methoxymethylidene)butanoate
CID 71389545
ethyl (2E)-2-(ethoxymethylidene)butanoate
CID 88955284
ethyl (2Z)-2-(methoxymethylidene)butanoate
CID 87267984
bis(4-hydroxybutyl) 2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedioate
CID 88900920
ethyl (E)-2-(bromomethyl)but-2-enoate
CID 10910713
(3E,5E)-3-ethoxycarbonylhepta-3,5-dienoic acid
CID 10703096
ethyl 2-ethyl-5-oxohex-2-enoate
CID 71391359
ethyl (E)-2-ethyl-4,4,4-trifluorobut-2-enoate
CID 10821704
butyl (2Z,4E)-2-cyano-5-(dimethylamino)penta-2,4-dienoate
CID 88900556

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate?
The IUPAC name of ethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate (CID 58644957) is ethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate.
What is the SMILES notation for ethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate?
The canonical SMILES for ethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate is CCOC(=O)/C(=C\C=C\N(C)C)CC.
What is the InChIKey of ethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate?
The InChIKey is TZPGCCGHOQPSBE-ZWOQCJTASA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-10(11(13)14-6-2)8-7-9-12(3)4/h7-9H,5-6H2,1-4H3/b9-7+,10-8-.
What are the key properties of ethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate?
ethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate has a molecular weight of 197.28 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate is sourced from PubChem (CID 58644957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).