(2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide

C11H17NO2 — CID 89354746

IUPAC(2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide
SMILESC=C/C(C(=O)N(C)C)=C(O)\C(C)=C/C
InChIInChI=1S/C11H17NO2/c1-6-8(3)10(13)9(7-2)11(14)12(4)5/h6-7,13H,2H2,1,3-5H3/b8-6-,10-9-
InChIKeyUTDLGQSUNJJZCA-VAOAJWRNSA-N
MW195.26 g/mol
LogP2.04
Rot. Bonds3

About (2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide

(2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide (PubChem CID 89354746) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide
PubChem CID89354746
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide
SMILESC=C/C(C(=O)N(C)C)=C(O)\C(C)=C/C
InChIInChI=1S/C11H17NO2/c1-6-8(3)10(13)9(7-2)11(14)12(4)5/h6-7,13H,2H2,1,3-5H3/b8-6-,10-9-
InChIKeyUTDLGQSUNJJZCA-VAOAJWRNSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide?
The IUPAC name of (2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide (CID 89354746) is (2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide.
What is the SMILES notation for (2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide?
The canonical SMILES for (2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide is C=C/C(C(=O)N(C)C)=C(O)\C(C)=C/C.
What is the InChIKey of (2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide?
The InChIKey is UTDLGQSUNJJZCA-VAOAJWRNSA-N. The full InChI is InChI=1S/C11H17NO2/c1-6-8(3)10(13)9(7-2)11(14)12(4)5/h6-7,13H,2H2,1,3-5H3/b8-6-,10-9-.
What are the key properties of (2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide?
(2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide has a molecular weight of 195.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-ethenyl-3-hydroxy-N,N,4-trimethylhexa-2,4-dienamide is sourced from PubChem (CID 89354746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).