2-(dimethylamino)ethenyl benzoate

C11H13NO2 — CID 129240489

IUPAC2-(dimethylamino)ethenyl benzoate
SMILESCN(C)C=COC(=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyIAIJKULUUIWGTH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.88
Rot. Bonds3

About 2-(dimethylamino)ethenyl benzoate

2-(dimethylamino)ethenyl benzoate (PubChem CID 129240489) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(dimethylamino)ethenyl benzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethenyl benzoate
PubChem CID129240489
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(dimethylamino)ethenyl benzoate
SMILESCN(C)C=COC(=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyIAIJKULUUIWGTH-UHFFFAOYSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-prop-1-enyl] benzoate
CID 11412549
2-methoxyethenyl benzoate
CID 68559568
[(1Z,3Z)-4-methoxybuta-1,3-dienyl] benzoate
CID 102600427
2-methylprop-1-enyl benzoate
CID 10487501
3-chloroprop-1-enyl benzoate
CID 54428210
(2E,4E)-5-benzoyloxypenta-2,4-dienoic acid
CID 12840355
ethenyl benzoate
CID 158178912
[(Z)-6-(dimethylamino)-2,4-dioxohex-5-en-3-yl] benzoate
CID 67914490
CID 69279397
CID 69279397
ethenyl benzoate;2-methylprop-1-ene
CID 174957134
(3-oxo-3-phenylprop-1-enyl) 4-methoxybenzoate
CID 2825584
3,5,5-trimethylhex-1-enyl benzoate
CID 151994921

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethenyl benzoate?
The IUPAC name of 2-(dimethylamino)ethenyl benzoate (CID 129240489) is 2-(dimethylamino)ethenyl benzoate.
What is the SMILES notation for 2-(dimethylamino)ethenyl benzoate?
The canonical SMILES for 2-(dimethylamino)ethenyl benzoate is CN(C)C=COC(=O)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)ethenyl benzoate?
The InChIKey is IAIJKULUUIWGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 2-(dimethylamino)ethenyl benzoate?
2-(dimethylamino)ethenyl benzoate has a molecular weight of 191.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethenyl benzoate is sourced from PubChem (CID 129240489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).