(E)-3-(4-hydroxyphenyl)prop-2-enamide

C9H9NO2 — CID 16637983

IUPAC(E)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C9H9NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6,11H,(H2,10,12)/b6-3+
InChIKeyDSMLJOHWFORNLY-ZZXKWVIFSA-N
MW163.18 g/mol
LogP0.89
Rot. Bonds2

About (E)-3-(4-hydroxyphenyl)prop-2-enamide

(E)-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 16637983) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID16637983
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(E)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C9H9NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6,11H,(H2,10,12)/b6-3+
InChIKeyDSMLJOHWFORNLY-ZZXKWVIFSA-N
XLogP0.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxyphenyl)prop-2-enamide (CID 16637983) is (E)-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)prop-2-enamide is NC(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is DSMLJOHWFORNLY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H9NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6,11H,(H2,10,12)/b6-3+.
What are the key properties of (E)-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 163.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 16637983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).