N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane

C11H21NO3 — CID 178010742

IUPACN-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane
SMILESC/C=C/CNC(=O)C1COCCO1.CC
InChIInChI=1S/C9H15NO3.C2H6/c1-2-3-4-10-9(11)8-7-12-5-6-13-8;1-2/h2-3,8H,4-7H2,1H3,(H,10,11);1-2H3/b3-2+;
InChIKeyIUFOIVVXEIHNGD-SQQVDAMQSA-N
MW215.29 g/mol
LogP1.12
Rot. Bonds3

About N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane

N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane (PubChem CID 178010742) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane
PubChem CID178010742
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane
SMILESC/C=C/CNC(=O)C1COCCO1.CC
InChIInChI=1S/C9H15NO3.C2H6/c1-2-3-4-10-9(11)8-7-12-5-6-13-8;1-2/h2-3,8H,4-7H2,1H3,(H,10,11);1-2H3/b3-2+;
InChIKeyIUFOIVVXEIHNGD-SQQVDAMQSA-N
XLogP1.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide
CID 20715374
N-propyl-1,4-dioxane-2-carboxamide
CID 60756126
N-prop-2-enyl-1,4-dioxane-2-carboxamide
CID 60756202
N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide
CID 141007797
N-[(Z)-but-2-enyl]-2-(2-methoxyethoxy)acetamide
CID 169873811
N-[(E)-but-2-enyl]-2-ethoxypropanamide
CID 178009933
N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide
CID 178010743
N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane
CID 178010971
3-ethoxy-2-methoxy-N-prop-2-enylpropanamide
CID 178011357
N-[(E)-but-2-enyl]-2-methoxypropanamide;ethane
CID 178011373
2-piperidin-4-yloxy-N-prop-2-enylpropanamide
CID 43346265
2-[1-(methylamino)propan-2-yloxy]-N-prop-2-enylpropanamide
CID 62336264

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane (CID 178010742) is N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane is C/C=C/CNC(=O)C1COCCO1.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane?
The InChIKey is IUFOIVVXEIHNGD-SQQVDAMQSA-N. The full InChI is InChI=1S/C9H15NO3.C2H6/c1-2-3-4-10-9(11)8-7-12-5-6-13-8;1-2/h2-3,8H,4-7H2,1H3,(H,10,11);1-2H3/b3-2+;.
What are the key properties of N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane?
N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane has a molecular weight of 215.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-1,4-dioxane-2-carboxamide;ethane is sourced from PubChem (CID 178010742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).