(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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Related Compounds

(3Z)-3-[(E)-(4-hydroxy-3-nitrophenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
CID 135577356
(3E)-1-prop-2-enyl-3-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]indol-2-one
CID 6904542
(3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
CID 9216037
2-nitro-4-[(Z)-[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)hydrazinylidene]methyl]phenolate
CID 9215978
5-bromo-3-phenylimino-1-prop-2-enylindol-2-one
CID 58482840
(3Z)-3-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylidenehydrazinylidene]-1-prop-2-enylindol-2-one
CID 135702055
methyl N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate
CID 174077132
2-[5-bromo-3-[(2-hydroxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-phenylacetamide
CID 3840140
(3Z)-3-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
CID 9216065
5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide
CID 118488872
(3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one
CID 9122414
(3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one
CID 102050008

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).