(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide

C10H13NO — CID 118357992

IUPAC(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide
SMILESC=C/C=C\C(\C=C\C(N)=O)=C/C
InChIInChI=1S/C10H13NO/c1-3-5-6-9(4-2)7-8-10(11)12/h3-8H,1H2,2H3,(H2,11,12)/b6-5-,8-7+,9-4+
InChIKeyGSUMVHVZDVGOGN-ARJLVYNQSA-N
MW163.22 g/mol
LogP1.72
Rot. Bonds4

About (2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide

(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide (PubChem CID 118357992) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide.

Molecular Properties

Compound Name(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide
PubChem CID118357992
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide
SMILESC=C/C=C\C(\C=C\C(N)=O)=C/C
InChIInChI=1S/C10H13NO/c1-3-5-6-9(4-2)7-8-10(11)12/h3-8H,1H2,2H3,(H2,11,12)/b6-5-,8-7+,9-4+
InChIKeyGSUMVHVZDVGOGN-ARJLVYNQSA-N
XLogP1.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.72
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

ethane;(2Z)-penta-2,4-dienamide
CID 143902044
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide
CID 142901922
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
4-amino-4-oxobut-2-enoic acid;buta-1,3-diene
CID 173116521
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile
CID 145486678
(E)-but-2-enamide;ethane
CID 145356551
(Z)-but-2-enamide;(E)-but-2-enamide;methane
CID 163931576
(2E,4E)-hexa-2,4-dienamide;phosphane
CID 175915492
acetyl chloride;penta-1,3-diene
CID 175604931
[(1Z)-buta-1,3-dienyl]urea
CID 89155794

Frequently Asked Questions

What is the IUPAC name of (2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide?
The IUPAC name of (2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide (CID 118357992) is (2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide.
What is the SMILES notation for (2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide?
The canonical SMILES for (2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide is C=C/C=C\C(\C=C\C(N)=O)=C/C.
What is the InChIKey of (2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide?
The InChIKey is GSUMVHVZDVGOGN-ARJLVYNQSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-6-9(4-2)7-8-10(11)12/h3-8H,1H2,2H3,(H2,11,12)/b6-5-,8-7+,9-4+.
What are the key properties of (2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide?
(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide has a molecular weight of 163.22 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide is sourced from PubChem (CID 118357992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).