N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide

C10H11NO3 — CID 6439639

IUPACN-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide
SMILESCC(=O)N/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C10H11NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-6,13-14H,1H3,(H,11,12)/b5-4+
InChIKeyLTVSVRGGYNFOEB-SNAWJCMRSA-N
MW193.20 g/mol
LogP1.20
Rot. Bonds2

About N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide

N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide (PubChem CID 6439639) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide
PubChem CID6439639
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC NameN-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide
SMILESCC(=O)N/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C10H11NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-6,13-14H,1H3,(H,11,12)/b5-4+
InChIKeyLTVSVRGGYNFOEB-SNAWJCMRSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide?
The IUPAC name of N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide (CID 6439639) is N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide.
What is the SMILES notation for N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide?
The canonical SMILES for N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide is CC(=O)N/C=C/c1ccc(O)c(O)c1.
What is the InChIKey of N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide?
The InChIKey is LTVSVRGGYNFOEB-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-6,13-14H,1H3,(H,11,12)/b5-4+.
What are the key properties of N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide?
N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide has a molecular weight of 193.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]acetamide is sourced from PubChem (CID 6439639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).