(3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one

C18H14BrN3O2 — CID 135702042

IUPAC(3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)/C(=N\N=C\c2cc(Br)ccc2O)c2ccccc21
InChIInChI=1S/C18H14BrN3O2/c1-2-9-22-15-6-4-3-5-14(15)17(18(22)24)21-20-11-12-10-13(19)7-8-16(12)23/h2-8,10-11,23H,1,9H2/b20-11+,21-17-
InChIKeyOGYIJLNPTCKKJV-QOGAHJOCSA-N
MW384.23 g/mol
LogP3.51
Rot. Bonds4

About (3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one

(3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one (PubChem CID 135702042) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is (3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
PubChem CID135702042
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name(3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)/C(=N\N=C\c2cc(Br)ccc2O)c2ccccc21
InChIInChI=1S/C18H14BrN3O2/c1-2-9-22-15-6-4-3-5-14(15)17(18(22)24)21-20-11-12-10-13(19)7-8-16(12)23/h2-8,10-11,23H,1,9H2/b20-11+,21-17-
InChIKeyOGYIJLNPTCKKJV-QOGAHJOCSA-N
XLogP3.51
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one?
The IUPAC name of (3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one (CID 135702042) is (3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one.
What is the SMILES notation for (3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one?
The canonical SMILES for (3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one is C=CCN1C(=O)/C(=N\N=C\c2cc(Br)ccc2O)c2ccccc21.
What is the InChIKey of (3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one?
The InChIKey is OGYIJLNPTCKKJV-QOGAHJOCSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c1-2-9-22-15-6-4-3-5-14(15)17(18(22)24)21-20-11-12-10-13(19)7-8-16(12)23/h2-8,10-11,23H,1,9H2/b20-11+,21-17-.
What are the key properties of (3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one?
(3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one has a molecular weight of 384.23 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one is sourced from PubChem (CID 135702042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).