(4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide

C10H17NO2 — CID 13483522

IUPAC(4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide
SMILESC=C(/C=C/CCC(=O)N(C)C)OC
InChIInChI=1S/C10H17NO2/c1-9(13-4)7-5-6-8-10(12)11(2)3/h5,7H,1,6,8H2,2-4H3/b7-5+
InChIKeyFOGPCOXZSCSDMZ-FNORWQNLSA-N
MW183.25 g/mol
LogP1.57
Rot. Bonds5

About (4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide

(4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide (PubChem CID 13483522) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide.

Molecular Properties

Compound Name(4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide
PubChem CID13483522
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide
SMILESC=C(/C=C/CCC(=O)N(C)C)OC
InChIInChI=1S/C10H17NO2/c1-9(13-4)7-5-6-8-10(12)11(2)3/h5,7H,1,6,8H2,2-4H3/b7-5+
InChIKeyFOGPCOXZSCSDMZ-FNORWQNLSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide?
The IUPAC name of (4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide (CID 13483522) is (4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide.
What is the SMILES notation for (4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide?
The canonical SMILES for (4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide is C=C(/C=C/CCC(=O)N(C)C)OC.
What is the InChIKey of (4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide?
The InChIKey is FOGPCOXZSCSDMZ-FNORWQNLSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(13-4)7-5-6-8-10(12)11(2)3/h5,7H,1,6,8H2,2-4H3/b7-5+.
What are the key properties of (4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide?
(4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide has a molecular weight of 183.25 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-6-methoxy-N,N-dimethylhepta-4,6-dienamide is sourced from PubChem (CID 13483522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).