2-hydroxy-5-(4-oxobut-1-enyl)benzamide

C11H11NO3 — CID 170482288

IUPAC2-hydroxy-5-(4-oxobut-1-enyl)benzamide
SMILESNC(=O)c1cc(C=CCC=O)ccc1O
InChIInChI=1S/C11H11NO3/c12-11(15)9-7-8(3-1-2-6-13)4-5-10(9)14/h1,3-7,14H,2H2,(H2,12,15)
InChIKeyDDFZUGWUAWZTJD-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.09
Rot. Bonds4

About 2-hydroxy-5-(4-oxobut-1-enyl)benzamide

2-hydroxy-5-(4-oxobut-1-enyl)benzamide (PubChem CID 170482288) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-hydroxy-5-(4-oxobut-1-enyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-(4-oxobut-1-enyl)benzamide
PubChem CID170482288
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-hydroxy-5-(4-oxobut-1-enyl)benzamide
SMILESNC(=O)c1cc(C=CCC=O)ccc1O
InChIInChI=1S/C11H11NO3/c12-11(15)9-7-8(3-1-2-6-13)4-5-10(9)14/h1,3-7,14H,2H2,(H2,12,15)
InChIKeyDDFZUGWUAWZTJD-UHFFFAOYSA-N
XLogP1.09
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide
CID 169455593
2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide
CID 170476987
5-(4-chlorobut-1-enyl)-2-hydroxybenzamide
CID 170499566
4-(4-acetyl-3-hydroxyphenyl)but-3-enal
CID 170482122
2-hydroxy-5-(4-oxobut-1-enyl)benzaldehyde
CID 170481700
4-(3-fluoro-4-hydroxyphenyl)but-3-enal
CID 170481448
2-hydroxy-4-(4-oxobut-1-enyl)benzaldehyde
CID 170481714
4-(4-acetyl-3-chlorophenyl)but-3-enal
CID 170482150
4-(3-hydroxy-4-nitrophenyl)but-3-enal
CID 170482322
3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide
CID 169482230
2-[2-chloro-4-(4-oxobut-1-enyl)phenyl]acetic acid
CID 170482363
(E)-4-(3,4-dimethoxyphenyl)but-3-enal
CID 87333792

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-oxobut-1-enyl)benzamide?
The IUPAC name of 2-hydroxy-5-(4-oxobut-1-enyl)benzamide (CID 170482288) is 2-hydroxy-5-(4-oxobut-1-enyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-(4-oxobut-1-enyl)benzamide?
The canonical SMILES for 2-hydroxy-5-(4-oxobut-1-enyl)benzamide is NC(=O)c1cc(C=CCC=O)ccc1O.
What is the InChIKey of 2-hydroxy-5-(4-oxobut-1-enyl)benzamide?
The InChIKey is DDFZUGWUAWZTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c12-11(15)9-7-8(3-1-2-6-13)4-5-10(9)14/h1,3-7,14H,2H2,(H2,12,15).
What are the key properties of 2-hydroxy-5-(4-oxobut-1-enyl)benzamide?
2-hydroxy-5-(4-oxobut-1-enyl)benzamide has a molecular weight of 205.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-oxobut-1-enyl)benzamide is sourced from PubChem (CID 170482288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).