(3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one

C15H12BrN3OS — CID 9122414

IUPAC(3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=N/N=C\c2cc(Br)cs2)c2ccccc21
InChIInChI=1S/C15H12BrN3OS/c1-2-19-13-6-4-3-5-12(13)14(15(19)20)18-17-8-11-7-10(16)9-21-11/h3-9H,2H2,1H3/b17-8-,18-14+
InChIKeyRCZFSKVAAZSXOE-UZCYSTGLSA-N
MW362.25 g/mol
LogP3.70
Rot. Bonds3

About (3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one

(3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one (PubChem CID 9122414) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is (3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one.

Molecular Properties

Compound Name(3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one
PubChem CID9122414
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name(3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=N/N=C\c2cc(Br)cs2)c2ccccc21
InChIInChI=1S/C15H12BrN3OS/c1-2-19-13-6-4-3-5-12(13)14(15(19)20)18-17-8-11-7-10(16)9-21-11/h3-9H,2H2,1H3/b17-8-,18-14+
InChIKeyRCZFSKVAAZSXOE-UZCYSTGLSA-N
XLogP3.70
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-1-ethyl-3-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]indol-2-one
CID 9122516
(3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one
CID 9122462
1-ethyl-3-phenyliminoindol-2-one
CID 23936952
(3Z)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1-prop-2-enylindol-2-one
CID 135702042
(3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
CID 9460349
[4-[(Z)-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9122525
(3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one
CID 9460537
(3E)-3-[(Z)-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methylidenehydrazinylidene]-1-ethylindol-2-one
CID 9147420
3-[[4-(2-bromophenyl)-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1,3-thiazol-3-yl]imino]-1-ethylindol-2-one
CID 23850386
(3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126204603
1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
CID 5116562
(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214007

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one?
The IUPAC name of (3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one (CID 9122414) is (3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one.
What is the SMILES notation for (3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one?
The canonical SMILES for (3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one is CCN1C(=O)/C(=N/N=C\c2cc(Br)cs2)c2ccccc21.
What is the InChIKey of (3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one?
The InChIKey is RCZFSKVAAZSXOE-UZCYSTGLSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-2-19-13-6-4-3-5-12(13)14(15(19)20)18-17-8-11-7-10(16)9-21-11/h3-9H,2H2,1H3/b17-8-,18-14+.
What are the key properties of (3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one?
(3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one has a molecular weight of 362.25 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one is sourced from PubChem (CID 9122414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).