(E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide

C11H13NO3 — CID 66659236

IUPAC(E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide
SMILESC/C(=C\Cc1ccc(O)c(O)c1)C(N)=O
InChIInChI=1S/C11H13NO3/c1-7(11(12)15)2-3-8-4-5-9(13)10(14)6-8/h2,4-6,13-14H,3H2,1H3,(H2,12,15)/b7-2+
InChIKeyWOTISYWEABDBPO-FARCUNLSSA-N
MW207.23 g/mol
LogP1.07
Rot. Bonds3

About (E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide

(E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide (PubChem CID 66659236) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide
PubChem CID66659236
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide
SMILESC/C(=C\Cc1ccc(O)c(O)c1)C(N)=O
InChIInChI=1S/C11H13NO3/c1-7(11(12)15)2-3-8-4-5-9(13)10(14)6-8/h2,4-6,13-14H,3H2,1H3,(H2,12,15)/b7-2+
InChIKeyWOTISYWEABDBPO-FARCUNLSSA-N
XLogP1.07
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.07
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

5-(3-carboxybut-2-enyl)-2-hydroxybenzoic acid
CID 67786096
ethyl 2-cyano-4-(3,4-dihydroxyphenyl)but-2-enoate
CID 177307249
4-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,2-diol
CID 140650993
(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide
CID 14274714
3-(3,4-dihydroxyphenyl)prop-1-en-1-one
CID 54070329
(E)-N-cyclohexyl-4-(3,4-dihydroxyphenyl)-2-methyl-N-pyridin-2-ylbut-2-enamide
CID 89471645
2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine
CID 58854562
(3R)-3-amino-4-(3,4-dihydroxyphenyl)-3-methylbutan-2-one
CID 163965767
2-acetamido-3-(3,4-dihydroxyphenyl)propanamide
CID 10466712
4-(3,4-dihydroxyphenyl)-3-methylbutan-2-one
CID 77410272
4-(3-tert-butyl-4-hydroxyphenyl)but-2-enamide
CID 87587241
S-methyl 2-amino-3-(3,4-dihydroxyphenyl)propanethioate
CID 123598248

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide?
The IUPAC name of (E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide (CID 66659236) is (E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide?
The canonical SMILES for (E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide is C/C(=C\Cc1ccc(O)c(O)c1)C(N)=O.
What is the InChIKey of (E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide?
The InChIKey is WOTISYWEABDBPO-FARCUNLSSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(11(12)15)2-3-8-4-5-9(13)10(14)6-8/h2,4-6,13-14H,3H2,1H3,(H2,12,15)/b7-2+.
What are the key properties of (E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide?
(E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide has a molecular weight of 207.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3,4-dihydroxyphenyl)-2-methylbut-2-enamide is sourced from PubChem (CID 66659236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).