(4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide

C12H19NO2 — CID 5366303

IUPAC(4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide
SMILESC/C=C/C=C/C(=O)CC(=O)N(CC)CC
InChIInChI=1S/C12H19NO2/c1-4-7-8-9-11(14)10-12(15)13(5-2)6-3/h4,7-9H,5-6,10H2,1-3H3/b7-4+,9-8+
InChIKeyPLXIRHLVYIXPNT-NUXDXBQRSA-N
MW209.29 g/mol
LogP1.95
Rot. Bonds6

About (4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide

(4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide (PubChem CID 5366303) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide.

Molecular Properties

Compound Name(4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide
PubChem CID5366303
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide
SMILESC/C=C/C=C/C(=O)CC(=O)N(CC)CC
InChIInChI=1S/C12H19NO2/c1-4-7-8-9-11(14)10-12(15)13(5-2)6-3/h4,7-9H,5-6,10H2,1-3H3/b7-4+,9-8+
InChIKeyPLXIRHLVYIXPNT-NUXDXBQRSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide?
The IUPAC name of (4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide (CID 5366303) is (4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide.
What is the SMILES notation for (4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide?
The canonical SMILES for (4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide is C/C=C/C=C/C(=O)CC(=O)N(CC)CC.
What is the InChIKey of (4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide?
The InChIKey is PLXIRHLVYIXPNT-NUXDXBQRSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-7-8-9-11(14)10-12(15)13(5-2)6-3/h4,7-9H,5-6,10H2,1-3H3/b7-4+,9-8+.
What are the key properties of (4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide?
(4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide has a molecular weight of 209.29 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-N,N-diethyl-3-oxoocta-4,6-dienamide is sourced from PubChem (CID 5366303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).