(3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one

C15H12N2O3 — CID 143061968

IUPAC(3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one
SMILESNc1ccc2c(c1)/C(=C\c1cc(O)ccc1O)C(=O)N2
InChIInChI=1S/C15H12N2O3/c16-9-1-3-13-11(7-9)12(15(20)17-13)6-8-5-10(18)2-4-14(8)19/h1-7,18-19H,16H2,(H,17,20)/b12-6+
InChIKeyXEDQYIPXVCAGGI-WUXMJOGZSA-N
MW268.27 g/mol
LogP2.17
Rot. Bonds1

About (3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one

(3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 143061968) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is (3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one
PubChem CID143061968
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one
SMILESNc1ccc2c(c1)/C(=C\c1cc(O)ccc1O)C(=O)N2
InChIInChI=1S/C15H12N2O3/c16-9-1-3-13-11(7-9)12(15(20)17-13)6-8-5-10(18)2-4-14(8)19/h1-7,18-19H,16H2,(H,17,20)/b12-6+
InChIKeyXEDQYIPXVCAGGI-WUXMJOGZSA-N
XLogP2.17
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one (CID 143061968) is (3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one is Nc1ccc2c(c1)/C(=C\c1cc(O)ccc1O)C(=O)N2.
What is the InChIKey of (3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is XEDQYIPXVCAGGI-WUXMJOGZSA-N. The full InChI is InChI=1S/C15H12N2O3/c16-9-1-3-13-11(7-9)12(15(20)17-13)6-8-5-10(18)2-4-14(8)19/h1-7,18-19H,16H2,(H,17,20)/b12-6+.
What are the key properties of (3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one?
(3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 268.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-amino-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 143061968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).