(2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide

C16H16N2O3 — CID 137227568

IUPAC(2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide
SMILESC=C/C=C(O)\C(=C/C=C)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H16N2O3/c1-3-7-13(15(20)8-4-2)16(21)18-17-11-12-9-5-6-10-14(12)19/h3-11,19-20H,1-2H2,(H,18,21)/b13-7+,15-8+,17-11+
InChIKeyLFYUVYLXICBQDI-GKCNEYCUSA-N
MW284.32 g/mol
LogP2.58
Rot. Bonds6

About (2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide

(2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide (PubChem CID 137227568) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide.

Molecular Properties

Compound Name(2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide
PubChem CID137227568
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide
SMILESC=C/C=C(O)\C(=C/C=C)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H16N2O3/c1-3-7-13(15(20)8-4-2)16(21)18-17-11-12-9-5-6-10-14(12)19/h3-11,19-20H,1-2H2,(H,18,21)/b13-7+,15-8+,17-11+
InChIKeyLFYUVYLXICBQDI-GKCNEYCUSA-N
XLogP2.58
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide?
The IUPAC name of (2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide (CID 137227568) is (2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide.
What is the SMILES notation for (2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide?
The canonical SMILES for (2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide is C=C/C=C(O)\C(=C/C=C)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of (2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide?
The InChIKey is LFYUVYLXICBQDI-GKCNEYCUSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-7-13(15(20)8-4-2)16(21)18-17-11-12-9-5-6-10-14(12)19/h3-11,19-20H,1-2H2,(H,18,21)/b13-7+,15-8+,17-11+.
What are the key properties of (2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide?
(2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide has a molecular weight of 284.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-prop-2-enylidenehexa-3,5-dienamide is sourced from PubChem (CID 137227568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).