(2E,4E)-hepta-2,4-dienamide

C7H11NO — CID 11693907

IUPAC(2E,4E)-hepta-2,4-dienamide
SMILESCC/C=C/C=C/C(N)=O
InChIInChI=1S/C7H11NO/c1-2-3-4-5-6-7(8)9/h3-6H,2H2,1H3,(H2,8,9)/b4-3+,6-5+
InChIKeyKITQGYOSLQTCSD-VNKDHWASSA-N
MW125.17 g/mol
LogP0.99
Rot. Bonds3

About (2E,4E)-hepta-2,4-dienamide

(2E,4E)-hepta-2,4-dienamide (PubChem CID 11693907) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2E,4E)-hepta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-hepta-2,4-dienamide
PubChem CID11693907
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2E,4E)-hepta-2,4-dienamide
SMILESCC/C=C/C=C/C(N)=O
InChIInChI=1S/C7H11NO/c1-2-3-4-5-6-7(8)9/h3-6H,2H2,1H3,(H2,8,9)/b4-3+,6-5+
InChIKeyKITQGYOSLQTCSD-VNKDHWASSA-N
XLogP0.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (2E,4E)-hepta-2,4-dienamide?
The IUPAC name of (2E,4E)-hepta-2,4-dienamide (CID 11693907) is (2E,4E)-hepta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-hepta-2,4-dienamide?
The canonical SMILES for (2E,4E)-hepta-2,4-dienamide is CC/C=C/C=C/C(N)=O.
What is the InChIKey of (2E,4E)-hepta-2,4-dienamide?
The InChIKey is KITQGYOSLQTCSD-VNKDHWASSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-4-5-6-7(8)9/h3-6H,2H2,1H3,(H2,8,9)/b4-3+,6-5+.
What are the key properties of (2E,4E)-hepta-2,4-dienamide?
(2E,4E)-hepta-2,4-dienamide has a molecular weight of 125.17 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hepta-2,4-dienamide is sourced from PubChem (CID 11693907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).