N-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide

C11H19NO2 — CID 142112980

IUPACN-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide
SMILESC=CO/C(=C\C)CNC(=O)C(C)(C)C
InChIInChI=1S/C11H19NO2/c1-6-9(14-7-2)8-12-10(13)11(3,4)5/h6-7H,2,8H2,1,3-5H3,(H,12,13)/b9-6-
InChIKeyDOSALUYTQPSECP-TWGQIWQCSA-N
MW197.28 g/mol
LogP2.21
Rot. Bonds4

About N-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide

N-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide (PubChem CID 142112980) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide
PubChem CID142112980
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide
SMILESC=CO/C(=C\C)CNC(=O)C(C)(C)C
InChIInChI=1S/C11H19NO2/c1-6-9(14-7-2)8-12-10(13)11(3,4)5/h6-7H,2,8H2,1,3-5H3,(H,12,13)/b9-6-
InChIKeyDOSALUYTQPSECP-TWGQIWQCSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]propanamide
CID 142133184
ethane;N-(2-ethenoxyprop-2-enyl)acetamide
CID 145336173
N-[(E)-but-2-enyl]-2-ethoxy-2-methylpropanamide
CID 178011544
N-[(Z)-2-ethenoxybut-2-enyl]-2-methylprop-2-enamide
CID 143023540
N-(2-methoxyprop-2-enyl)-2,2-dimethylpropanamide
CID 165072070

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide (CID 142112980) is N-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide is C=CO/C(=C\C)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide?
The InChIKey is DOSALUYTQPSECP-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H19NO2/c1-6-9(14-7-2)8-12-10(13)11(3,4)5/h6-7H,2,8H2,1,3-5H3,(H,12,13)/b9-6-.
What are the key properties of N-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide?
N-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide has a molecular weight of 197.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-ethenoxybut-2-enyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 142112980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).