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

C11H13NO3 — CID 170476987

IUPAC2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide
SMILESNC(=O)c1cc(C=CCCO)ccc1O
InChIInChI=1S/C11H13NO3/c12-11(15)9-7-8(3-1-2-6-13)4-5-10(9)14/h1,3-5,7,13-14H,2,6H2,(H2,12,15)
InChIKeyQLMKQQSZDRDCFJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.89
Rot. Bonds4

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

2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide (PubChem CID 170476987) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide
PubChem CID170476987
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide
SMILESNC(=O)c1cc(C=CCCO)ccc1O
InChIInChI=1S/C11H13NO3/c12-11(15)9-7-8(3-1-2-6-13)4-5-10(9)14/h1,3-5,7,13-14H,2,6H2,(H2,12,15)
InChIKeyQLMKQQSZDRDCFJ-UHFFFAOYSA-N
XLogP0.89
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorobut-1-enyl)-2-hydroxybenzamide
CID 170499566
2-hydroxy-5-(4-oxobut-1-enyl)benzamide
CID 170482288
2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide
CID 169455593
2-amino-5-(4-hydroxybut-1-enyl)benzoic acid
CID 170476973
2-fluoro-5-(4-hydroxybut-1-enyl)phenol
CID 170476152
5-(3,4-dihydroxyphenyl)pent-4-enoic acid
CID 90882623
2-[2-fluoro-5-(4-hydroxybut-1-enyl)phenyl]acetic acid
CID 170477059
4-naphthalen-2-ylbut-3-en-1-ol
CID 54291326
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide
CID 169482230
2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde
CID 170476436
2-hydroxy-5-[4-(phenylmethoxycarbonylamino)but-1-enyl]benzoic acid
CID 170494375

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide?
The IUPAC name of 2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide (CID 170476987) is 2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide?
The canonical SMILES for 2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide is NC(=O)c1cc(C=CCCO)ccc1O.
What is the InChIKey of 2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide?
The InChIKey is QLMKQQSZDRDCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-11(15)9-7-8(3-1-2-6-13)4-5-10(9)14/h1,3-5,7,13-14H,2,6H2,(H2,12,15).
What are the key properties of 2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide?
2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide has a molecular weight of 207.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide is sourced from PubChem (CID 170476987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).