(2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide

C9H14N2O — CID 126589503

IUPAC(2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide
SMILESC=C/C=C(\C=C)C[C@H](N)C(N)=O
InChIInChI=1S/C9H14N2O/c1-3-5-7(4-2)6-8(10)9(11)12/h3-5,8H,1-2,6,10H2,(H2,11,12)/b7-5+/t8-/m0/s1
InChIKeyCMUBJKZFCKUTJH-IVGLGHLBSA-N
MW166.22 g/mol
LogP0.49
Rot. Bonds5

About (2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide

(2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide (PubChem CID 126589503) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide.

Molecular Properties

Compound Name(2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide
PubChem CID126589503
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide
SMILESC=C/C=C(\C=C)C[C@H](N)C(N)=O
InChIInChI=1S/C9H14N2O/c1-3-5-7(4-2)6-8(10)9(11)12/h3-5,8H,1-2,6,10H2,(H2,11,12)/b7-5+/t8-/m0/s1
InChIKeyCMUBJKZFCKUTJH-IVGLGHLBSA-N
XLogP0.49
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide?
The IUPAC name of (2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide (CID 126589503) is (2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide.
What is the SMILES notation for (2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide?
The canonical SMILES for (2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide is C=C/C=C(\C=C)C[C@H](N)C(N)=O.
What is the InChIKey of (2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide?
The InChIKey is CMUBJKZFCKUTJH-IVGLGHLBSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-5-7(4-2)6-8(10)9(11)12/h3-5,8H,1-2,6,10H2,(H2,11,12)/b7-5+/t8-/m0/s1.
What are the key properties of (2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide?
(2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide has a molecular weight of 166.22 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4Z)-2-amino-4-ethenylhepta-4,6-dienamide is sourced from PubChem (CID 126589503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).