2-but-3-enoxybenzamide

C11H13NO2 — CID 2728050

IUPAC2-but-3-enoxybenzamide
SMILESC=CCCOc1ccccc1C(N)=O
InChIInChI=1S/C11H13NO2/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h2,4-7H,1,3,8H2,(H2,12,13)
InChIKeyDJSQREBRXVWWSD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.74
Rot. Bonds5

About 2-but-3-enoxybenzamide

2-but-3-enoxybenzamide (PubChem CID 2728050) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-but-3-enoxybenzamide.

Molecular Properties

Compound Name2-but-3-enoxybenzamide
PubChem CID2728050
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-but-3-enoxybenzamide
SMILESC=CCCOc1ccccc1C(N)=O
InChIInChI=1S/C11H13NO2/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h2,4-7H,1,3,8H2,(H2,12,13)
InChIKeyDJSQREBRXVWWSD-UHFFFAOYSA-N
XLogP1.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxybenzamide?
The IUPAC name of 2-but-3-enoxybenzamide (CID 2728050) is 2-but-3-enoxybenzamide.
What is the SMILES notation for 2-but-3-enoxybenzamide?
The canonical SMILES for 2-but-3-enoxybenzamide is C=CCCOc1ccccc1C(N)=O.
What is the InChIKey of 2-but-3-enoxybenzamide?
The InChIKey is DJSQREBRXVWWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h2,4-7H,1,3,8H2,(H2,12,13).
What are the key properties of 2-but-3-enoxybenzamide?
2-but-3-enoxybenzamide has a molecular weight of 191.23 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxybenzamide is sourced from PubChem (CID 2728050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).