(2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide

C12H19NO — CID 5471986

IUPAC(2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide
SMILESCC/C=C\C=C/C(=O)N/C=C/CCC
InChIInChI=1S/C12H19NO/c1-3-5-7-8-10-12(14)13-11-9-6-4-2/h5,7-11H,3-4,6H2,1-2H3,(H,13,14)/b7-5-,10-8-,11-9+
InChIKeyJDFJAHGFIVKJBK-IZYYEFCUSA-N
MW193.29 g/mol
LogP2.94
Rot. Bonds6

About (2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide

(2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide (PubChem CID 5471986) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide
PubChem CID5471986
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide
SMILESCC/C=C\C=C/C(=O)N/C=C/CCC
InChIInChI=1S/C12H19NO/c1-3-5-7-8-10-12(14)13-11-9-6-4-2/h5,7-11H,3-4,6H2,1-2H3,(H,13,14)/b7-5-,10-8-,11-9+
InChIKeyJDFJAHGFIVKJBK-IZYYEFCUSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.94
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

Spilanthol
CID 5353001
N-Ethylnona-2,6-dienamide
CID 57351458
2-Hydroxy-5-methylpyridine
CID 70482
8,9-Dehydropellitorine
CID 14427412
N-(2-Methylpropyl)-2,6,8-decatrienamide
CID 530394
2,4-Octadienamide, N-(2-methylpropyl)-, (E,E)-
CID 6479668
(2E,6Z)-N-ethylnona-2,6-dienamide
CID 11309884
N-Isobutyl-2,4,8-decatrienamide
CID 87311177
N-(2-Methylpropyl)-2,6,8-decatrienamide, (2E,6E,8E)-
CID 11506817
(2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide
CID 5321102
(2E,4E,8E)-N-butan-2-yldeca-2,4,8-trienamide
CID 6433895
(2E,6E,8Z)-N-(2-methylpropyl)deca-2,6,8-trienamide
CID 15558482

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide?
The IUPAC name of (2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide (CID 5471986) is (2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide.
What is the SMILES notation for (2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide?
The canonical SMILES for (2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide is CC/C=C\C=C/C(=O)N/C=C/CCC.
What is the InChIKey of (2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide?
The InChIKey is JDFJAHGFIVKJBK-IZYYEFCUSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-7-8-10-12(14)13-11-9-6-4-2/h5,7-11H,3-4,6H2,1-2H3,(H,13,14)/b7-5-,10-8-,11-9+.
What are the key properties of (2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide?
(2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide has a molecular weight of 193.29 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-[(E)-pent-1-enyl]hepta-2,4-dienamide is sourced from PubChem (CID 5471986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).