(2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide

C11H17NO — CID 88934459

IUPAC(2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide
SMILESC=C(C)/C(=C\C=C/C)C(=O)N(C)C
InChIInChI=1S/C11H17NO/c1-6-7-8-10(9(2)3)11(13)12(4)5/h6-8H,2H2,1,3-5H3/b7-6-,10-8+
InChIKeyDFEDKRZMVJQBEM-VAAURPRASA-N
MW179.26 g/mol
LogP2.15
Rot. Bonds3

About (2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide

(2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide (PubChem CID 88934459) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide
PubChem CID88934459
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide
SMILESC=C(C)/C(=C\C=C/C)C(=O)N(C)C
InChIInChI=1S/C11H17NO/c1-6-7-8-10(9(2)3)11(13)12(4)5/h6-8H,2H2,1,3-5H3/b7-6-,10-8+
InChIKeyDFEDKRZMVJQBEM-VAAURPRASA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.15
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,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide (CID 88934459) is (2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide is C=C(C)/C(=C\C=C/C)C(=O)N(C)C.
What is the InChIKey of (2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide?
The InChIKey is DFEDKRZMVJQBEM-VAAURPRASA-N. The full InChI is InChI=1S/C11H17NO/c1-6-7-8-10(9(2)3)11(13)12(4)5/h6-8H,2H2,1,3-5H3/b7-6-,10-8+.
What are the key properties of (2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide?
(2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide has a molecular weight of 179.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,N-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienamide is sourced from PubChem (CID 88934459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).