(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide

C10H15NO — CID 118361831

IUPAC(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide
SMILESC=C/C=C\C(=C/C)C(=O)N(C)C
InChIInChI=1S/C10H15NO/c1-5-7-8-9(6-2)10(12)11(3)4/h5-8H,1H2,2-4H3/b8-7-,9-6+
InChIKeyXDUOMNPFURAHOL-SOKJVCRVSA-N
MW165.24 g/mol
LogP1.76
Rot. Bonds3

About (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide

(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide (PubChem CID 118361831) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide
PubChem CID118361831
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide
SMILESC=C/C=C\C(=C/C)C(=O)N(C)C
InChIInChI=1S/C10H15NO/c1-5-7-8-9(6-2)10(12)11(3)4/h5-8H,1H2,2-4H3/b8-7-,9-6+
InChIKeyXDUOMNPFURAHOL-SOKJVCRVSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide?
The IUPAC name of (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide (CID 118361831) is (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide.
What is the SMILES notation for (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide?
The canonical SMILES for (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide is C=C/C=C\C(=C/C)C(=O)N(C)C.
What is the InChIKey of (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide?
The InChIKey is XDUOMNPFURAHOL-SOKJVCRVSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-7-8-9(6-2)10(12)11(3)4/h5-8H,1H2,2-4H3/b8-7-,9-6+.
What are the key properties of (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide?
(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide has a molecular weight of 165.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide is sourced from PubChem (CID 118361831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).