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

C13H21NO — CID 102084154

IUPAC(2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide
SMILESC=C(/C=C/C(=O)NC(C)(C)C)C1CCC1
InChIInChI=1S/C13H21NO/c1-10(11-6-5-7-11)8-9-12(15)14-13(2,3)4/h8-9,11H,1,5-7H2,2-4H3,(H,14,15)/b9-8+
InChIKeyARTPKMTZTXKXCS-CMDGGOBGSA-N
MW207.32 g/mol
LogP2.81
Rot. Bonds3

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

(2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide (PubChem CID 102084154) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide
PubChem CID102084154
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide
SMILESC=C(/C=C/C(=O)NC(C)(C)C)C1CCC1
InChIInChI=1S/C13H21NO/c1-10(11-6-5-7-11)8-9-12(15)14-13(2,3)4/h8-9,11H,1,5-7H2,2-4H3,(H,14,15)/b9-8+
InChIKeyARTPKMTZTXKXCS-CMDGGOBGSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.81
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-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide
CID 102084152
(2E)-N-tert-butyl-4-methylpenta-2,4-dienamide
CID 131234353
(E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide
CID 135056552
(2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide
CID 135056567
(E)-N-tert-butyl-5-methylhex-2-enamide
CID 135080469
5-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-3,6-dimethyl-1H-pyridin-2-one
CID 70833117
(2E,4E)-N-tert-butyldeca-2,4-dienamide
CID 87311088
(2E,4Z)-N-tert-butyldeca-2,4-dienamide
CID 87311123
N-[(1Z,3E)-1-(2-methylcyclobutyl)penta-1,3-dien-3-yl]acetamide
CID 88991014
N-tert-butyldeca-2,4-dienamide
CID 90971551
N-tert-butylundeca-2,7,9-trienamide
CID 91238827
N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide
CID 91527113

Frequently Asked Questions

What is the IUPAC name of (2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide?
The IUPAC name of (2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide (CID 102084154) is (2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide?
The canonical SMILES for (2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide is C=C(/C=C/C(=O)NC(C)(C)C)C1CCC1.
What is the InChIKey of (2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide?
The InChIKey is ARTPKMTZTXKXCS-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(11-6-5-7-11)8-9-12(15)14-13(2,3)4/h8-9,11H,1,5-7H2,2-4H3,(H,14,15)/b9-8+.
What are the key properties of (2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide?
(2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide has a molecular weight of 207.32 g/mol, XLogP of 2.81, 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-4-cyclobutylpenta-2,4-dienamide is sourced from PubChem (CID 102084154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).