(E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide

C10H11NO3 — CID 14989749

IUPAC(E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C10H11NO3/c1-11-10(14)5-3-7-2-4-8(12)9(13)6-7/h2-6,12-13H,1H3,(H,11,14)/b5-3+
InChIKeyBRWJVYQGQPRRCV-HWKANZROSA-N
MW193.20 g/mol
LogP0.86
Rot. Bonds2

About (E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide

(E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide (PubChem CID 14989749) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide
PubChem CID14989749
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C10H11NO3/c1-11-10(14)5-3-7-2-4-8(12)9(13)6-7/h2-6,12-13H,1H3,(H,11,14)/b5-3+
InChIKeyBRWJVYQGQPRRCV-HWKANZROSA-N
XLogP0.86
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 ≤ 50.86
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetic acid;3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 159549195
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 689043
(E)-N-butyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 15086373
(E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide
CID 39239019
3-(3,4-dihydroxyphenyl)prop-2-enethioic S-acid
CID 78183914
1-(3,4-dihydroxyphenyl)-4-methylpent-1-en-3-one
CID 123620299
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
(E)-3-(4-iodophenyl)-N-methylprop-2-enamide
CID 147337787
(Z)-N-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 23275357
3-(3,4-dihydroxyphenyl)-N-[(2,3,4-trihydroxyphenyl)methyl]prop-2-enamide
CID 54121370

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide (CID 14989749) is (E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide is CNC(=O)/C=C/c1ccc(O)c(O)c1.
What is the InChIKey of (E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide?
The InChIKey is BRWJVYQGQPRRCV-HWKANZROSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-10(14)5-3-7-2-4-8(12)9(13)6-7/h2-6,12-13H,1H3,(H,11,14)/b5-3+.
What are the key properties of (E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide?
(E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide has a molecular weight of 193.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 14989749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).