(3E,5E)-2-methylidenehepta-3,5-dienamide

C8H11NO — CID 20571175

IUPAC(3E,5E)-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C/C=C/C)C(N)=O
InChIInChI=1S/C8H11NO/c1-3-4-5-6-7(2)8(9)10/h3-6H,2H2,1H3,(H2,9,10)/b4-3+,6-5+
InChIKeyRAXILNFODUIDQR-VNKDHWASSA-N
MW137.18 g/mol
LogP1.16
Rot. Bonds3

About (3E,5E)-2-methylidenehepta-3,5-dienamide

(3E,5E)-2-methylidenehepta-3,5-dienamide (PubChem CID 20571175) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (3E,5E)-2-methylidenehepta-3,5-dienamide.

Molecular Properties

Compound Name(3E,5E)-2-methylidenehepta-3,5-dienamide
PubChem CID20571175
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(3E,5E)-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C/C=C/C)C(N)=O
InChIInChI=1S/C8H11NO/c1-3-4-5-6-7(2)8(9)10/h3-6H,2H2,1H3,(H2,9,10)/b4-3+,6-5+
InChIKeyRAXILNFODUIDQR-VNKDHWASSA-N
XLogP1.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.16
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 (3E,5E)-2-methylidenehepta-3,5-dienamide?
The IUPAC name of (3E,5E)-2-methylidenehepta-3,5-dienamide (CID 20571175) is (3E,5E)-2-methylidenehepta-3,5-dienamide.
What is the SMILES notation for (3E,5E)-2-methylidenehepta-3,5-dienamide?
The canonical SMILES for (3E,5E)-2-methylidenehepta-3,5-dienamide is C=C(/C=C/C=C/C)C(N)=O.
What is the InChIKey of (3E,5E)-2-methylidenehepta-3,5-dienamide?
The InChIKey is RAXILNFODUIDQR-VNKDHWASSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-4-5-6-7(2)8(9)10/h3-6H,2H2,1H3,(H2,9,10)/b4-3+,6-5+.
What are the key properties of (3E,5E)-2-methylidenehepta-3,5-dienamide?
(3E,5E)-2-methylidenehepta-3,5-dienamide has a molecular weight of 137.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2-methylidenehepta-3,5-dienamide is sourced from PubChem (CID 20571175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).