N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide

C11H13NO4 — CID 169466663

IUPACN-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1c(O)cc(O)cc1O
InChIInChI=1S/C11H13NO4/c1-7(13)12-4-2-3-9-10(15)5-8(14)6-11(9)16/h2-3,5-6,14-16H,4H2,1H3,(H,12,13)
InChIKeyHVESQQIEGNALTA-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.95
Rot. Bonds3

About N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide

N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide (PubChem CID 169466663) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide
PubChem CID169466663
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC NameN-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1c(O)cc(O)cc1O
InChIInChI=1S/C11H13NO4/c1-7(13)12-4-2-3-9-10(15)5-8(14)6-11(9)16/h2-3,5-6,14-16H,4H2,1H3,(H,12,13)
InChIKeyHVESQQIEGNALTA-UHFFFAOYSA-N
XLogP0.95
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]acetamide
CID 169465940
N-[3-[3-hydroxy-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466014
N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465018
N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169466749
N-[3-(5-hydroxy-2-pyridinyl)prop-2-enyl]acetamide
CID 169464931
N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
CID 169465296
N-[3-(3-hydroxy-2-pyridinyl)prop-2-enyl]acetamide
CID 169464929
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate
CID 169466032
2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol
CID 10221223
N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide
CID 169465154
N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465232

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide (CID 169466663) is N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1c(O)cc(O)cc1O.
What is the InChIKey of N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide?
The InChIKey is HVESQQIEGNALTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(13)12-4-2-3-9-10(15)5-8(14)6-11(9)16/h2-3,5-6,14-16H,4H2,1H3,(H,12,13).
What are the key properties of N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide?
N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide has a molecular weight of 223.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4,6-trihydroxyphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).