(2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide

C11H17NO — CID 129252446

IUPAC(2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide
SMILESC=C/C=C(\C=C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H17NO/c1-6-8-9(7-2)10(13)12-11(3,4)5/h6-8H,1-2H2,3-5H3,(H,12,13)/b9-8+
InChIKeyKUEZANCJEIUWLR-CMDGGOBGSA-N
MW179.26 g/mol
LogP2.20
Rot. Bonds3

About (2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide

(2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide (PubChem CID 129252446) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide
PubChem CID129252446
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide
SMILESC=C/C=C(\C=C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H17NO/c1-6-8-9(7-2)10(13)12-11(3,4)5/h6-8H,1-2H2,3-5H3,(H,12,13)/b9-8+
InChIKeyKUEZANCJEIUWLR-CMDGGOBGSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
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

(E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-enamide
CID 44386608
N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide
CID 140669758
(E)-N-tert-butyl-2-methylbut-2-enamide
CID 22743379
(E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide
CID 102084152
(2E)-N-tert-butyl-4-methylpenta-2,4-dienamide
CID 131234353
(2E,4E)-N-tert-butyl-6,6-dimethylhepta-2,4-dienamide
CID 135042526
(E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide
CID 135056552
(Z)-N-(1-fluoro-2-methylpropan-2-yl)-2-methylbut-2-enamide
CID 133621036
N-tert-butylcyclopenta-1,3-diene-1-carboxamide
CID 12173351
3,5,6-Trimethylpyridin-2(1H)-one
CID 14203604
(E)-N-tert-butyl-2,4-dimethylpent-2-enamide
CID 14383794
3-[(E)-but-1-enyl]pyrrole-2,5-dione
CID 21242255

Frequently Asked Questions

What is the IUPAC name of (2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide?
The IUPAC name of (2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide (CID 129252446) is (2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide?
The canonical SMILES for (2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide is C=C/C=C(\C=C)C(=O)NC(C)(C)C.
What is the InChIKey of (2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide?
The InChIKey is KUEZANCJEIUWLR-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H17NO/c1-6-8-9(7-2)10(13)12-11(3,4)5/h6-8H,1-2H2,3-5H3,(H,12,13)/b9-8+.
What are the key properties of (2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide?
(2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide has a molecular weight of 179.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-tert-butyl-2-ethenylpenta-2,4-dienamide is sourced from PubChem (CID 129252446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).