(3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one

C20H15BrN4O — CID 136919140

IUPAC(3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N\N=C1\CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C20H15BrN4O/c21-11-8-9-16-14(10-11)19(20(26)23-16)25-24-17-7-3-5-13-12-4-1-2-6-15(12)22-18(13)17/h1-2,4,6,8-10,22H,3,5,7H2,(H,23,25,26)/b24-17-
InChIKeyVDYQIVQTHLARIT-ULJHMMPZSA-N
MW407.27 g/mol
LogP4.41
Rot. Bonds1

About (3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one

(3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 136919140) has the molecular formula C20H15BrN4O and a molecular weight of 407.27 g/mol. Its IUPAC name is (3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one
PubChem CID136919140
Molecular FormulaC20H15BrN4O
Molecular Weight407.27 g/mol
Exact Mass406.04
IUPAC Name(3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N\N=C1\CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C20H15BrN4O/c21-11-8-9-16-14(10-11)19(20(26)23-16)25-24-17-7-3-5-13-12-4-1-2-6-15(12)22-18(13)17/h1-2,4,6,8-10,22H,3,5,7H2,(H,23,25,26)/b24-17-
InChIKeyVDYQIVQTHLARIT-ULJHMMPZSA-N
XLogP4.41
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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'}

Analyze (3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135400598
5-bromo-3-isoquinolin-4-ylimino-1H-indol-2-one
CID 166085831
3-[(Z)-(6-tert-butyl-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazinylidene]-1-methylindol-2-one
CID 137035026
(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 177407444
(3Z)-5-bromo-3-[(3-methyl-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 22500294
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate
CID 135400453
(3E)-3-[(Z)-(4-benzylphenyl)methylidenehydrazinylidene]-5-bromo-1H-indol-2-one
CID 135903570
5-bromo-3-(2,3-dimethylphenyl)imino-1H-indol-2-one
CID 135420156
5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one
CID 135559321
(3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one
CID 135703568
5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one
CID 135458707
(3Z)-5-bromo-3-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135857822

Frequently Asked Questions

What is the IUPAC name of (3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one (CID 136919140) is (3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=N\N=C1\CCCc2c1[nH]c1ccccc21.
What is the InChIKey of (3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is VDYQIVQTHLARIT-ULJHMMPZSA-N. The full InChI is InChI=1S/C20H15BrN4O/c21-11-8-9-16-14(10-11)19(20(26)23-16)25-24-17-7-3-5-13-12-4-1-2-6-15(12)22-18(13)17/h1-2,4,6,8-10,22H,3,5,7H2,(H,23,25,26)/b24-17-.
What are the key properties of (3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one?
(3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 407.27 g/mol, XLogP of 4.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 136919140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).