(E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide

C12H14N2O2 — CID 12067439

IUPAC(E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1cc(N)ccc1O
InChIInChI=1S/C12H14N2O2/c1-2-7-14-12(16)6-3-9-8-10(13)4-5-11(9)15/h2-6,8,15H,1,7,13H2,(H,14,16)/b6-3+
InChIKeyXAALYLLRLJWUQA-ZZXKWVIFSA-N
MW218.26 g/mol
LogP1.29
Rot. Bonds4

About (E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide

(E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide (PubChem CID 12067439) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide
PubChem CID12067439
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1cc(N)ccc1O
InChIInChI=1S/C12H14N2O2/c1-2-7-14-12(16)6-3-9-8-10(13)4-5-11(9)15/h2-6,8,15H,1,7,13H2,(H,14,16)/b6-3+
InChIKeyXAALYLLRLJWUQA-ZZXKWVIFSA-N
XLogP1.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of (E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide (CID 12067439) is (E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide is C=CCNC(=O)/C=C/c1cc(N)ccc1O.
What is the InChIKey of (E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is XAALYLLRLJWUQA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-7-14-12(16)6-3-9-8-10(13)4-5-11(9)15/h2-6,8,15H,1,7,13H2,(H,14,16)/b6-3+.
What are the key properties of (E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide?
(E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 218.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-amino-2-hydroxyphenyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 12067439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).