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

C13H7BrClNO2 — CID 42613078

IUPAC(3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(Br)o1
InChIInChI=1S/C13H7BrClNO2/c14-12-4-2-8(18-12)6-10-9-5-7(15)1-3-11(9)16-13(10)17/h1-6H,(H,16,17)/b10-6-
InChIKeyWYTXAYBEDLIVAH-POHAHGRESA-N
MW324.56 g/mol
LogP4.19
Rot. Bonds1

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

(3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one (PubChem CID 42613078) has the molecular formula C13H7BrClNO2 and a molecular weight of 324.56 g/mol. Its IUPAC name is (3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one
PubChem CID42613078
Molecular FormulaC13H7BrClNO2
Molecular Weight324.56 g/mol
Exact Mass322.93
IUPAC Name(3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(Br)o1
InChIInChI=1S/C13H7BrClNO2/c14-12-4-2-8(18-12)6-10-9-5-7(15)1-3-11(9)16-13(10)17/h1-6H,(H,16,17)/b10-6-
InChIKeyWYTXAYBEDLIVAH-POHAHGRESA-N
XLogP4.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 54.19
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-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one (CID 42613078) is (3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(Br)o1.
What is the InChIKey of (3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one?
The InChIKey is WYTXAYBEDLIVAH-POHAHGRESA-N. The full InChI is InChI=1S/C13H7BrClNO2/c14-12-4-2-8(18-12)6-10-9-5-7(15)1-3-11(9)16-13(10)17/h1-6H,(H,16,17)/b10-6-.
What are the key properties of (3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one?
(3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one has a molecular weight of 324.56 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-bromofuran-2-yl)methylidene]-5-chloro-1H-indol-2-one is sourced from PubChem (CID 42613078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).