N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane

C11H23NO — CID 142022142

IUPACN-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane
SMILESC=C/C(=C\C)CNC(C)=O.CCC.[H][H]
InChIInChI=1S/C8H13NO.C3H8.H2/c1-4-8(5-2)6-9-7(3)10;1-3-2;/h4-5H,1,6H2,2-3H3,(H,9,10);3H2,1-2H3;1H/b8-5+;;
InChIKeyQCPCYMULNBBBAH-RMZRELHQSA-N
MW185.31 g/mol
LogP2.92
Rot. Bonds3

About N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane

N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane (PubChem CID 142022142) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane.

Molecular Properties

Compound NameN-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane
PubChem CID142022142
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane
SMILESC=C/C(=C\C)CNC(C)=O.CCC.[H][H]
InChIInChI=1S/C8H13NO.C3H8.H2/c1-4-8(5-2)6-9-7(3)10;1-3-2;/h4-5H,1,6H2,2-3H3,(H,9,10);3H2,1-2H3;1H/b8-5+;;
InChIKeyQCPCYMULNBBBAH-RMZRELHQSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane?
The IUPAC name of N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane (CID 142022142) is N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane.
What is the SMILES notation for N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane?
The canonical SMILES for N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane is C=C/C(=C\C)CNC(C)=O.CCC.[H][H].
What is the InChIKey of N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane?
The InChIKey is QCPCYMULNBBBAH-RMZRELHQSA-N. The full InChI is InChI=1S/C8H13NO.C3H8.H2/c1-4-8(5-2)6-9-7(3)10;1-3-2;/h4-5H,1,6H2,2-3H3,(H,9,10);3H2,1-2H3;1H/b8-5+;;.
What are the key properties of N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane?
N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane has a molecular weight of 185.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-ethenylbut-2-enyl]acetamide;molecular hydrogen;propane is sourced from PubChem (CID 142022142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).