(3E)-N-ethylhexa-3,5-dienamide

C8H13NO — CID 155482476

IUPAC(3E)-N-ethylhexa-3,5-dienamide
SMILESC=C/C=C/CC(=O)NCC
InChIInChI=1S/C8H13NO/c1-3-5-6-7-8(10)9-4-2/h3,5-6H,1,4,7H2,2H3,(H,9,10)/b6-5+
InChIKeyFRTXYNMEJNUJQK-AATRIKPKSA-N
MW139.20 g/mol
LogP1.25
Rot. Bonds4

About (3E)-N-ethylhexa-3,5-dienamide

(3E)-N-ethylhexa-3,5-dienamide (PubChem CID 155482476) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3E)-N-ethylhexa-3,5-dienamide.

Molecular Properties

Compound Name(3E)-N-ethylhexa-3,5-dienamide
PubChem CID155482476
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3E)-N-ethylhexa-3,5-dienamide
SMILESC=C/C=C/CC(=O)NCC
InChIInChI=1S/C8H13NO/c1-3-5-6-7-8(10)9-4-2/h3,5-6H,1,4,7H2,2H3,(H,9,10)/b6-5+
InChIKeyFRTXYNMEJNUJQK-AATRIKPKSA-N
XLogP1.25
TPSA29.10 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 ≤ 51.25
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

(3Z)-N-methylhexa-3,5-dienamide
CID 90245827
N-ethyl-4-(prop-2-enylideneamino)but-3-enamide
CID 123947374
butane;ethane;(4Z)-hepta-4,6-dien-2-one
CID 142062116
ethyl hexa-3,5-dienoate
CID 54153384
N,N'-diethylpropanediamide
CID 4600245
sodium hexa-3,5-dienoate
CID 74086378
(3Z)-6-methylideneocta-1,3-diene
CID 170732271
N-ethyl-4-oxohex-5-enamide
CID 147279818
dodeca-1,3-dien-6-one
CID 154455058
N,N'-diethylnonanediamide
CID 89048639
N-hexa-3,5-dienylacetamide
CID 59663062
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848

Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethylhexa-3,5-dienamide?
The IUPAC name of (3E)-N-ethylhexa-3,5-dienamide (CID 155482476) is (3E)-N-ethylhexa-3,5-dienamide.
What is the SMILES notation for (3E)-N-ethylhexa-3,5-dienamide?
The canonical SMILES for (3E)-N-ethylhexa-3,5-dienamide is C=C/C=C/CC(=O)NCC.
What is the InChIKey of (3E)-N-ethylhexa-3,5-dienamide?
The InChIKey is FRTXYNMEJNUJQK-AATRIKPKSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-6-7-8(10)9-4-2/h3,5-6H,1,4,7H2,2H3,(H,9,10)/b6-5+.
What are the key properties of (3E)-N-ethylhexa-3,5-dienamide?
(3E)-N-ethylhexa-3,5-dienamide has a molecular weight of 139.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethylhexa-3,5-dienamide is sourced from PubChem (CID 155482476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).