(3E,5E)-octa-3,5-dienamide

C8H13NO — CID 55289592

IUPAC(3E,5E)-octa-3,5-dienamide
SMILESCC/C=C/C=C/CC(N)=O
InChIInChI=1S/C8H13NO/c1-2-3-4-5-6-7-8(9)10/h3-6H,2,7H2,1H3,(H2,9,10)/b4-3+,6-5+
InChIKeyDVJQEBIWZJJIHQ-VNKDHWASSA-N
MW139.20 g/mol
LogP1.38
Rot. Bonds4

About (3E,5E)-octa-3,5-dienamide

(3E,5E)-octa-3,5-dienamide (PubChem CID 55289592) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3E,5E)-octa-3,5-dienamide.

Molecular Properties

Compound Name(3E,5E)-octa-3,5-dienamide
PubChem CID55289592
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3E,5E)-octa-3,5-dienamide
SMILESCC/C=C/C=C/CC(N)=O
InChIInChI=1S/C8H13NO/c1-2-3-4-5-6-7-8(9)10/h3-6H,2,7H2,1H3,(H2,9,10)/b4-3+,6-5+
InChIKeyDVJQEBIWZJJIHQ-VNKDHWASSA-N
XLogP1.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2E,4E)-hepta-2,4-dienyl] carbamate
CID 125475387
(5E)-octa-3,5-diene
CID 173104147
ethyl hepta-2,4-dienoate
CID 54483010
carbamic acid;(Z)-hex-3-ene
CID 158256779
carbamic acid;hex-3-ene
CID 175321124
ethene;hex-3-enediamide
CID 173451408
(3Z,5E)-octa-3,5-dien-2-one
CID 6428552
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
(2E,4Z)-2-methylhepta-2,4-dienamide
CID 143129883
octadec-15-enamide
CID 54276805
nonadec-3-enamide
CID 54215031
(6E,8E)-undeca-6,8-dien-2-one
CID 91753286

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-octa-3,5-dienamide?
The IUPAC name of (3E,5E)-octa-3,5-dienamide (CID 55289592) is (3E,5E)-octa-3,5-dienamide.
What is the SMILES notation for (3E,5E)-octa-3,5-dienamide?
The canonical SMILES for (3E,5E)-octa-3,5-dienamide is CC/C=C/C=C/CC(N)=O.
What is the InChIKey of (3E,5E)-octa-3,5-dienamide?
The InChIKey is DVJQEBIWZJJIHQ-VNKDHWASSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-5-6-7-8(9)10/h3-6H,2,7H2,1H3,(H2,9,10)/b4-3+,6-5+.
What are the key properties of (3E,5E)-octa-3,5-dienamide?
(3E,5E)-octa-3,5-dienamide has a molecular weight of 139.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-octa-3,5-dienamide is sourced from PubChem (CID 55289592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).