(3E)-N,N-dimethylhepta-3,6-dienamide

C9H15NO — CID 88571457

IUPAC(3E)-N,N-dimethylhepta-3,6-dienamide
SMILESC=CC/C=C/CC(=O)N(C)C
InChIInChI=1S/C9H15NO/c1-4-5-6-7-8-9(11)10(2)3/h4,6-7H,1,5,8H2,2-3H3/b7-6+
InChIKeySSCULUNIYCGTBF-VOTSOKGWSA-N
MW153.22 g/mol
LogP1.60
Rot. Bonds4

About (3E)-N,N-dimethylhepta-3,6-dienamide

(3E)-N,N-dimethylhepta-3,6-dienamide (PubChem CID 88571457) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E)-N,N-dimethylhepta-3,6-dienamide.

Molecular Properties

Compound Name(3E)-N,N-dimethylhepta-3,6-dienamide
PubChem CID88571457
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E)-N,N-dimethylhepta-3,6-dienamide
SMILESC=CC/C=C/CC(=O)N(C)C
InChIInChI=1S/C9H15NO/c1-4-5-6-7-8-9(11)10(2)3/h4,6-7H,1,5,8H2,2-3H3/b7-6+
InChIKeySSCULUNIYCGTBF-VOTSOKGWSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N,N-dimethylhepta-3,6-dienamide?
The IUPAC name of (3E)-N,N-dimethylhepta-3,6-dienamide (CID 88571457) is (3E)-N,N-dimethylhepta-3,6-dienamide.
What is the SMILES notation for (3E)-N,N-dimethylhepta-3,6-dienamide?
The canonical SMILES for (3E)-N,N-dimethylhepta-3,6-dienamide is C=CC/C=C/CC(=O)N(C)C.
What is the InChIKey of (3E)-N,N-dimethylhepta-3,6-dienamide?
The InChIKey is SSCULUNIYCGTBF-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-5-6-7-8-9(11)10(2)3/h4,6-7H,1,5,8H2,2-3H3/b7-6+.
What are the key properties of (3E)-N,N-dimethylhepta-3,6-dienamide?
(3E)-N,N-dimethylhepta-3,6-dienamide has a molecular weight of 153.22 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,N-dimethylhepta-3,6-dienamide is sourced from PubChem (CID 88571457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).