methyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate

C7H11NO2 — CID 139469797

IUPACmethyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate
SMILESCN/C=C\C=C\C(=O)OC
InChIInChI=1S/C7H11NO2/c1-8-6-4-3-5-7(9)10-2/h3-6,8H,1-2H3/b5-3+,6-4-
InChIKeyCWWLQWLTAHOBOS-UZNMPDEFSA-N
MW141.17 g/mol
LogP0.45
Rot. Bonds3

About methyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate

methyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate (PubChem CID 139469797) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate
PubChem CID139469797
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate
SMILESCN/C=C\C=C\C(=O)OC
InChIInChI=1S/C7H11NO2/c1-8-6-4-3-5-7(9)10-2/h3-6,8H,1-2H3/b5-3+,6-4-
InChIKeyCWWLQWLTAHOBOS-UZNMPDEFSA-N
XLogP0.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
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,4Z)-5-(methylamino)penta-2,4-dienoate?
The IUPAC name of methyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate (CID 139469797) is methyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate?
The canonical SMILES for methyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate is CN/C=C\C=C\C(=O)OC.
What is the InChIKey of methyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate?
The InChIKey is CWWLQWLTAHOBOS-UZNMPDEFSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-6-4-3-5-7(9)10-2/h3-6,8H,1-2H3/b5-3+,6-4-.
What are the key properties of methyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate?
methyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate has a molecular weight of 141.17 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4Z)-5-(methylamino)penta-2,4-dienoate is sourced from PubChem (CID 139469797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).