(4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide

C10H14N2O — CID 89057326

IUPAC(4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide
SMILESC=C/C(C=CC(=O)NC)=C\C=C/N
InChIInChI=1S/C10H14N2O/c1-3-9(5-4-8-11)6-7-10(13)12-2/h3-8H,1,11H2,2H3,(H,12,13)/b7-6?,8-4-,9-5+
InChIKeyVHGFAPUZKJBRRH-KVFCXGBASA-N
MW178.23 g/mol
LogP0.87
Rot. Bonds4

About (4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide

(4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide (PubChem CID 89057326) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide.

Molecular Properties

Compound Name(4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide
PubChem CID89057326
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide
SMILESC=C/C(C=CC(=O)NC)=C\C=C/N
InChIInChI=1S/C10H14N2O/c1-3-9(5-4-8-11)6-7-10(13)12-2/h3-8H,1,11H2,2H3,(H,12,13)/b7-6?,8-4-,9-5+
InChIKeyVHGFAPUZKJBRRH-KVFCXGBASA-N
XLogP0.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide?
The IUPAC name of (4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide (CID 89057326) is (4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide.
What is the SMILES notation for (4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide?
The canonical SMILES for (4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide is C=C/C(C=CC(=O)NC)=C\C=C/N.
What is the InChIKey of (4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide?
The InChIKey is VHGFAPUZKJBRRH-KVFCXGBASA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-9(5-4-8-11)6-7-10(13)12-2/h3-8H,1,11H2,2H3,(H,12,13)/b7-6?,8-4-,9-5+.
What are the key properties of (4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide?
(4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide has a molecular weight of 178.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-7-amino-4-ethenyl-N-methylhepta-2,4,6-trienamide is sourced from PubChem (CID 89057326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).