(3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one

C13H8BrNOS — CID 17463560

IUPAC(3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(Br)s1
InChIInChI=1S/C13H8BrNOS/c14-12-6-5-8(17-12)7-10-9-3-1-2-4-11(9)15-13(10)16/h1-7H,(H,15,16)/b10-7-
InChIKeyHBHNVADIVTWLTP-YFHOEESVSA-N
MW306.18 g/mol
LogP4.00
Rot. Bonds1

About (3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one

(3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one (PubChem CID 17463560) has the molecular formula C13H8BrNOS and a molecular weight of 306.18 g/mol. Its IUPAC name is (3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one
PubChem CID17463560
Molecular FormulaC13H8BrNOS
Molecular Weight306.18 g/mol
Exact Mass304.95
IUPAC Name(3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(Br)s1
InChIInChI=1S/C13H8BrNOS/c14-12-6-5-8(17-12)7-10-9-3-1-2-4-11(9)15-13(10)16/h1-7H,(H,15,16)/b10-7-
InChIKeyHBHNVADIVTWLTP-YFHOEESVSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one (CID 17463560) is (3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1ccc(Br)s1.
What is the InChIKey of (3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is HBHNVADIVTWLTP-YFHOEESVSA-N. The full InChI is InChI=1S/C13H8BrNOS/c14-12-6-5-8(17-12)7-10-9-3-1-2-4-11(9)15-13(10)16/h1-7H,(H,15,16)/b10-7-.
What are the key properties of (3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one?
(3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 306.18 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 17463560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).