(3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane

C11H20N2O — CID 143114824

IUPAC(3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane
SMILESC=C/C=C\C(=C/C)C(N)C(N)=O.CC
InChIInChI=1S/C9H14N2O.C2H6/c1-3-5-6-7(4-2)8(10)9(11)12;1-2/h3-6,8H,1,10H2,2H3,(H2,11,12);1-2H3/b6-5-,7-4+;
InChIKeyBAQZXLIQOHCQIL-BIFKCLKRSA-N
MW196.29 g/mol
LogP1.51
Rot. Bonds4

About (3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane

(3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane (PubChem CID 143114824) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane.

Molecular Properties

Compound Name(3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane
PubChem CID143114824
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane
SMILESC=C/C=C\C(=C/C)C(N)C(N)=O.CC
InChIInChI=1S/C9H14N2O.C2H6/c1-3-5-6-7(4-2)8(10)9(11)12;1-2/h3-6,8H,1,10H2,2H3,(H2,11,12);1-2H3/b6-5-,7-4+;
InChIKeyBAQZXLIQOHCQIL-BIFKCLKRSA-N
XLogP1.51
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.51
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 (3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane?
The IUPAC name of (3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane (CID 143114824) is (3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane.
What is the SMILES notation for (3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane?
The canonical SMILES for (3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane is C=C/C=C\C(=C/C)C(N)C(N)=O.CC.
What is the InChIKey of (3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane?
The InChIKey is BAQZXLIQOHCQIL-BIFKCLKRSA-N. The full InChI is InChI=1S/C9H14N2O.C2H6/c1-3-5-6-7(4-2)8(10)9(11)12;1-2/h3-6,8H,1,10H2,2H3,(H2,11,12);1-2H3/b6-5-,7-4+;.
What are the key properties of (3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane?
(3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane has a molecular weight of 196.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-2-amino-3-ethylidenehepta-4,6-dienamide;ethane is sourced from PubChem (CID 143114824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).