N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide

C10H11NO4 — CID 174910195

IUPACN-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide
SMILESC=C(O)C(=O)NCc1ccc(O)c(O)c1
InChIInChI=1S/C10H11NO4/c1-6(12)10(15)11-5-7-2-3-8(13)9(14)4-7/h2-4,12-14H,1,5H2,(H,11,15)
InChIKeyYEKBDKHFLCJXCU-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.79
Rot. Bonds3

About N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide

N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide (PubChem CID 174910195) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide
PubChem CID174910195
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC NameN-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide
SMILESC=C(O)C(=O)NCc1ccc(O)c(O)c1
InChIInChI=1S/C10H11NO4/c1-6(12)10(15)11-5-7-2-3-8(13)9(14)4-7/h2-4,12-14H,1,5H2,(H,11,15)
InChIKeyYEKBDKHFLCJXCU-UHFFFAOYSA-N
XLogP0.79
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dihydroxyphenyl)methyl]-2,2-dimethylpropanamide
CID 67129617
N-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydroxybenzamide
CID 11558152
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-2-thiophen-2-ylacetamide
CID 10564469
2-[(3,4-dihydroxyphenyl)methylamino]acetic acid
CID 43135200
N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide
CID 141325357
3-[(3,4-dihydroxyphenyl)methylamino]propanoic acid
CID 43139941
2-(3,4-dihydroxyphenyl)acetic acid
CID 547
4-(methylaminomethyl)benzene-1,2-diol
CID 14515287
(2E,4E)-2-cyano-N-[(3,4-dihydroxyphenyl)methyl]-5-(4-hydroxyphenyl)penta-2,4-dienamide
CID 142980527
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide
CID 113199023
2-[(3,4-dihydroxyphenyl)methylamino]ethylurea
CID 83111530
4-(3,4-dihydroxyphenyl)-2-methylidenebutanoic acid
CID 68621917

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide (CID 174910195) is N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide is C=C(O)C(=O)NCc1ccc(O)c(O)c1.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide?
The InChIKey is YEKBDKHFLCJXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(12)10(15)11-5-7-2-3-8(13)9(14)4-7/h2-4,12-14H,1,5H2,(H,11,15).
What are the key properties of N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide?
N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide has a molecular weight of 209.20 g/mol, XLogP of 0.79, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyphenyl)methyl]-2-hydroxyprop-2-enamide is sourced from PubChem (CID 174910195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).