methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate

C8H13NO2 — CID 12815344

IUPACmethyl (2Z)-2-(dimethylamino)penta-2,4-dienoate
SMILESC=C/C=C(/C(=O)OC)N(C)C
InChIInChI=1S/C8H13NO2/c1-5-6-7(9(2)3)8(10)11-4/h5-6H,1H2,2-4H3/b7-6-
InChIKeyUROYIUAEEAGRCU-SREVYHEPSA-N
MW155.20 g/mol
LogP0.79
Rot. Bonds3

About methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate

methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate (PubChem CID 12815344) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z)-2-(dimethylamino)penta-2,4-dienoate
PubChem CID12815344
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl (2Z)-2-(dimethylamino)penta-2,4-dienoate
SMILESC=C/C=C(/C(=O)OC)N(C)C
InChIInChI=1S/C8H13NO2/c1-5-6-7(9(2)3)8(10)11-4/h5-6H,1H2,2-4H3/b7-6-
InChIKeyUROYIUAEEAGRCU-SREVYHEPSA-N
XLogP0.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.79
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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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate?
The IUPAC name of methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate (CID 12815344) is methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate.
What is the SMILES notation for methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate?
The canonical SMILES for methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate is C=C/C=C(/C(=O)OC)N(C)C.
What is the InChIKey of methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate?
The InChIKey is UROYIUAEEAGRCU-SREVYHEPSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-6-7(9(2)3)8(10)11-4/h5-6H,1H2,2-4H3/b7-6-.
What are the key properties of methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate?
methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate has a molecular weight of 155.20 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(dimethylamino)penta-2,4-dienoate is sourced from PubChem (CID 12815344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).