(2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide

C11H17NO — CID 143537034

IUPAC(2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide
SMILESC=C/C(=C\C=C(C)C)C(=O)N(C)C
InChIInChI=1S/C11H17NO/c1-6-10(8-7-9(2)3)11(13)12(4)5/h6-8H,1H2,2-5H3/b10-8+
InChIKeyRDOMPFUXJYMQTH-CSKARUKUSA-N
MW179.26 g/mol
LogP2.15
Rot. Bonds3

About (2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide

(2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide (PubChem CID 143537034) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide
PubChem CID143537034
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide
SMILESC=C/C(=C\C=C(C)C)C(=O)N(C)C
InChIInChI=1S/C11H17NO/c1-6-10(8-7-9(2)3)11(13)12(4)5/h6-8H,1H2,2-5H3/b10-8+
InChIKeyRDOMPFUXJYMQTH-CSKARUKUSA-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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Related Compounds

(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dienamide
CID 142465051
(2E,4Z)-2-ethenyl-N,N,4-trimethylhexa-2,4-dienamide
CID 143013710
(4E)-4-ethenyl-2,7-dimethylocta-4,6-dien-3-one
CID 142078269
(3E)-3-ethenyl-6-methylhepta-1,3,5-trien-2-amine
CID 144989388
(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide
CID 118361831
2-ethenyl-N,N-diethylpenta-2,4-dienamide
CID 91586528
1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide
CID 70414233
N,N-dimethylacetamide;formaldehyde
CID 54040691
(2Z,5E)-5-ethenyl-8-methylnona-2,5,7-trien-4-imine
CID 156706976
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
N,N-dimethylacetamide;N-methylprop-2-enamide
CID 174991436
ethane;(3E,6E)-6-ethenyl-9-methyl-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 144664030

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide?
The IUPAC name of (2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide (CID 143537034) is (2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide.
What is the SMILES notation for (2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide?
The canonical SMILES for (2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide is C=C/C(=C\C=C(C)C)C(=O)N(C)C.
What is the InChIKey of (2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide?
The InChIKey is RDOMPFUXJYMQTH-CSKARUKUSA-N. The full InChI is InChI=1S/C11H17NO/c1-6-10(8-7-9(2)3)11(13)12(4)5/h6-8H,1H2,2-5H3/b10-8+.
What are the key properties of (2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide?
(2E)-2-ethenyl-N,N,5-trimethylhexa-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)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide is sourced from PubChem (CID 143537034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).