ethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate

C11H19NO2 — CID 153405256

IUPACethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate
SMILESC/C=C\C(C)=C(\CC(=O)OCC)NC
InChIInChI=1S/C11H19NO2/c1-5-7-9(3)10(12-4)8-11(13)14-6-2/h5,7,12H,6,8H2,1-4H3/b7-5-,10-9-
InChIKeyDIMXCCMRJXVFOK-XGOROQTFSA-N
MW197.28 g/mol
LogP2.01
Rot. Bonds5

About ethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate

ethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate (PubChem CID 153405256) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate.

Molecular Properties

Compound Nameethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate
PubChem CID153405256
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate
SMILESC/C=C\C(C)=C(\CC(=O)OCC)NC
InChIInChI=1S/C11H19NO2/c1-5-7-9(3)10(12-4)8-11(13)14-6-2/h5,7,12H,6,8H2,1-4H3/b7-5-,10-9-
InChIKeyDIMXCCMRJXVFOK-XGOROQTFSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate?
The IUPAC name of ethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate (CID 153405256) is ethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate.
What is the SMILES notation for ethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate?
The canonical SMILES for ethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate is C/C=C\C(C)=C(\CC(=O)OCC)NC.
What is the InChIKey of ethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate?
The InChIKey is DIMXCCMRJXVFOK-XGOROQTFSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-7-9(3)10(12-4)8-11(13)14-6-2/h5,7,12H,6,8H2,1-4H3/b7-5-,10-9-.
What are the key properties of ethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate?
ethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate has a molecular weight of 197.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dienoate is sourced from PubChem (CID 153405256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).