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

C10H17NO — CID 131234353

IUPAC(2E)-N-tert-butyl-4-methylpenta-2,4-dienamide
SMILESC=C(C)/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C10H17NO/c1-8(2)6-7-9(12)11-10(3,4)5/h6-7H,1H2,2-5H3,(H,11,12)/b7-6+
InChIKeyYXSJBEZSIWDVEG-VOTSOKGWSA-N
MW167.25 g/mol
LogP2.03
Rot. Bonds2

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

(2E)-N-tert-butyl-4-methylpenta-2,4-dienamide (PubChem CID 131234353) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E)-N-tert-butyl-4-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-tert-butyl-4-methylpenta-2,4-dienamide
PubChem CID131234353
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E)-N-tert-butyl-4-methylpenta-2,4-dienamide
SMILESC=C(C)/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C10H17NO/c1-8(2)6-7-9(12)11-10(3,4)5/h6-7H,1H2,2-5H3,(H,11,12)/b7-6+
InChIKeyYXSJBEZSIWDVEG-VOTSOKGWSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.03
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

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CID 12560816
5,6-Dimethyl-2-pyridone
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N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide
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N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide
CID 140669758
(2Z,5Z)-7-amino-N-[(3Z)-5-aminohexa-1,3,5-trien-2-yl]-2-fluoro-4-methylideneocta-2,5,7-trienamide
CID 145084850
5-ethenyl-3-fluoro-6-methyl-1H-pyridin-2-one
CID 171098497
2(1H)-Pyridinone, 5-ethyl-6-methyl-
CID 10419246
(E)-N-tert-butyl-5,5-dimethyl-4-methylidenehex-2-enamide
CID 102084152
(2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide
CID 102084154
(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

Frequently Asked Questions

What is the IUPAC name of (2E)-N-tert-butyl-4-methylpenta-2,4-dienamide?
The IUPAC name of (2E)-N-tert-butyl-4-methylpenta-2,4-dienamide (CID 131234353) is (2E)-N-tert-butyl-4-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-N-tert-butyl-4-methylpenta-2,4-dienamide?
The canonical SMILES for (2E)-N-tert-butyl-4-methylpenta-2,4-dienamide is C=C(C)/C=C/C(=O)NC(C)(C)C.
What is the InChIKey of (2E)-N-tert-butyl-4-methylpenta-2,4-dienamide?
The InChIKey is YXSJBEZSIWDVEG-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)6-7-9(12)11-10(3,4)5/h6-7H,1H2,2-5H3,(H,11,12)/b7-6+.
What are the key properties of (2E)-N-tert-butyl-4-methylpenta-2,4-dienamide?
(2E)-N-tert-butyl-4-methylpenta-2,4-dienamide has a molecular weight of 167.25 g/mol, XLogP of 2.03, 2 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-methylpenta-2,4-dienamide is sourced from PubChem (CID 131234353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).