methyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate

C10H17NO2 — CID 6385627

IUPACmethyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate
SMILESCC/C(=C\C=C\N(C)C)C(=O)OC
InChIInChI=1S/C10H17NO2/c1-5-9(10(12)13-4)7-6-8-11(2)3/h6-8H,5H2,1-4H3/b8-6+,9-7+
InChIKeyYCJJYPDDUWJORJ-CDJQDVQCSA-N
MW183.25 g/mol
LogP1.57
Rot. Bonds4

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

methyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate (PubChem CID 6385627) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate
PubChem CID6385627
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate
SMILESCC/C(=C\C=C\N(C)C)C(=O)OC
InChIInChI=1S/C10H17NO2/c1-5-9(10(12)13-4)7-6-8-11(2)3/h6-8H,5H2,1-4H3/b8-6+,9-7+
InChIKeyYCJJYPDDUWJORJ-CDJQDVQCSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.57
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 (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate (CID 6385627) is methyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate is CC/C(=C\C=C\N(C)C)C(=O)OC.
What is the InChIKey of methyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate?
The InChIKey is YCJJYPDDUWJORJ-CDJQDVQCSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-9(10(12)13-4)7-6-8-11(2)3/h6-8H,5H2,1-4H3/b8-6+,9-7+.
What are the key properties of methyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate?
methyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate has a molecular weight of 183.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-5-(dimethylamino)-2-ethylpenta-2,4-dienoate is sourced from PubChem (CID 6385627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).