(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

C10H11NO3 — CID 6433734

IUPAC(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(N)=O)ccc1O
InChIInChI=1S/C10H11NO3/c1-14-9-6-7(2-4-8(9)12)3-5-10(11)13/h2-6,12H,1H3,(H2,11,13)/b5-3+
InChIKeyYYAJJKZSQWOLIP-HWKANZROSA-N
MW193.20 g/mol
LogP0.90
Rot. Bonds3

About (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 6433734) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
PubChem CID6433734
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(N)=O)ccc1O
InChIInChI=1S/C10H11NO3/c1-14-9-6-7(2-4-8(9)12)3-5-10(11)13/h2-6,12H,1H3,(H2,11,13)/b5-3+
InChIKeyYYAJJKZSQWOLIP-HWKANZROSA-N
XLogP0.90
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (CID 6433734) is (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(N)=O)ccc1O.
What is the InChIKey of (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is YYAJJKZSQWOLIP-HWKANZROSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-9-6-7(2-4-8(9)12)3-5-10(11)13/h2-6,12H,1H3,(H2,11,13)/b5-3+.
What are the key properties of (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide has a molecular weight of 193.20 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6433734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).