5-methoxy-2-(3-oxoprop-1-enyl)benzamide

C11H11NO3 — CID 169459619

IUPAC5-methoxy-2-(3-oxoprop-1-enyl)benzamide
SMILESCOc1ccc(C=CC=O)c(C(N)=O)c1
InChIInChI=1S/C11H11NO3/c1-15-9-5-4-8(3-2-6-13)10(7-9)11(12)14/h2-7H,1H3,(H2,12,14)
InChIKeyWIWPHOSNXXYARM-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.01
Rot. Bonds4

About 5-methoxy-2-(3-oxoprop-1-enyl)benzamide

5-methoxy-2-(3-oxoprop-1-enyl)benzamide (PubChem CID 169459619) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-methoxy-2-(3-oxoprop-1-enyl)benzamide.

Molecular Properties

Compound Name5-methoxy-2-(3-oxoprop-1-enyl)benzamide
PubChem CID169459619
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name5-methoxy-2-(3-oxoprop-1-enyl)benzamide
SMILESCOc1ccc(C=CC=O)c(C(N)=O)c1
InChIInChI=1S/C11H11NO3/c1-15-9-5-4-8(3-2-6-13)10(7-9)11(12)14/h2-7H,1H3,(H2,12,14)
InChIKeyWIWPHOSNXXYARM-UHFFFAOYSA-N
XLogP1.01
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide
CID 174287412
2-amino-5-methoxybenzamide;ethane
CID 142071126
(2E,4E)-5-(2-chloro-4-methoxyphenyl)penta-2,4-dienal
CID 143512084
5-methoxy-2-(4-oxobut-1-enyl)benzohydrazide
CID 170482716
5-methoxy-2-(methylamino)benzamide
CID 66991664
3-(2-formyl-4-methoxyphenyl)prop-2-enamide
CID 169481996
2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid
CID 117297040
3-(6-methoxy-1H-indol-3-yl)prop-2-enal
CID 71445769
2-(2,2-dimethylpropanoyl)-4-methoxybenzaldehyde
CID 173118592
(E)-3-[2-(3-hydroxy-7-selenabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)-4-methoxyphenyl]prop-2-enal
CID 156771931
2-(4-chloro-1,2-dihydroxybutyl)-5-methoxybenzamide
CID 171894472
5-methoxy-2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474148

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-oxoprop-1-enyl)benzamide?
The IUPAC name of 5-methoxy-2-(3-oxoprop-1-enyl)benzamide (CID 169459619) is 5-methoxy-2-(3-oxoprop-1-enyl)benzamide.
What is the SMILES notation for 5-methoxy-2-(3-oxoprop-1-enyl)benzamide?
The canonical SMILES for 5-methoxy-2-(3-oxoprop-1-enyl)benzamide is COc1ccc(C=CC=O)c(C(N)=O)c1.
What is the InChIKey of 5-methoxy-2-(3-oxoprop-1-enyl)benzamide?
The InChIKey is WIWPHOSNXXYARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-9-5-4-8(3-2-6-13)10(7-9)11(12)14/h2-7H,1H3,(H2,12,14).
What are the key properties of 5-methoxy-2-(3-oxoprop-1-enyl)benzamide?
5-methoxy-2-(3-oxoprop-1-enyl)benzamide has a molecular weight of 205.21 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-oxoprop-1-enyl)benzamide is sourced from PubChem (CID 169459619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).