(2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide

C10H16N2O — CID 89193638

IUPAC(2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide
SMILESC=C/C(=C\C(C)=C/N)C(=O)NCC
InChIInChI=1S/C10H16N2O/c1-4-9(6-8(3)7-11)10(13)12-5-2/h4,6-7H,1,5,11H2,2-3H3,(H,12,13)/b8-7-,9-6+
InChIKeyMYHVUNKBISILLG-SOKJVCRVSA-N
MW180.25 g/mol
LogP1.10
Rot. Bonds4

About (2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide

(2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide (PubChem CID 89193638) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide
PubChem CID89193638
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide
SMILESC=C/C(=C\C(C)=C/N)C(=O)NCC
InChIInChI=1S/C10H16N2O/c1-4-9(6-8(3)7-11)10(13)12-5-2/h4,6-7H,1,5,11H2,2-3H3,(H,12,13)/b8-7-,9-6+
InChIKeyMYHVUNKBISILLG-SOKJVCRVSA-N
XLogP1.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Pellitorine
CID 5318516
Spilanthol
CID 5353001
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide
CID 5318518
(E,E)-2,4-Decadienoic isobutylamide
CID 11368078
Dodeca-2E,4E,8Z,10Z-Tetraenoic Acid Isobutylamide
CID 11413953
(2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 6440539
8,9-Dehydropellitorine
CID 14427412
Dodeca-2E,4E,8Z-Trienoic Acid Isobutylamide
CID 15609890
(2E,4E,8E,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 12315250
1,6-Dihydro-N-methyl-6-oxonicotinamide
CID 70510
Neopellitorine A
CID 636555
N-(2-Methylpropyl)-2,6,8-decatrienamide
CID 530394

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide?
The IUPAC name of (2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide (CID 89193638) is (2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide?
The canonical SMILES for (2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide is C=C/C(=C\C(C)=C/N)C(=O)NCC.
What is the InChIKey of (2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide?
The InChIKey is MYHVUNKBISILLG-SOKJVCRVSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-9(6-8(3)7-11)10(13)12-5-2/h4,6-7H,1,5,11H2,2-3H3,(H,12,13)/b8-7-,9-6+.
What are the key properties of (2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide?
(2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide has a molecular weight of 180.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-amino-2-ethenyl-N-ethyl-4-methylpenta-2,4-dienamide is sourced from PubChem (CID 89193638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).