(3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one

C17H11BrN2O — CID 58923919

IUPAC(3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2c(Br)cccc2/C1=C/c1c[nH]c2ccccc12
InChIInChI=1S/C17H11BrN2O/c18-14-6-3-5-12-13(17(21)20-16(12)14)8-10-9-19-15-7-2-1-4-11(10)15/h1-9,19H,(H,20,21)/b13-8-
InChIKeyUUGZBBBVKRWYMW-JYRVWZFOSA-N
MW339.19 g/mol
LogP4.42
Rot. Bonds1

About (3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one

(3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one (PubChem CID 58923919) has the molecular formula C17H11BrN2O and a molecular weight of 339.19 g/mol. Its IUPAC name is (3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
PubChem CID58923919
Molecular FormulaC17H11BrN2O
Molecular Weight339.19 g/mol
Exact Mass338.01
IUPAC Name(3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2c(Br)cccc2/C1=C/c1c[nH]c2ccccc12
InChIInChI=1S/C17H11BrN2O/c18-14-6-3-5-12-13(17(21)20-16(12)14)8-10-9-19-15-7-2-1-4-11(10)15/h1-9,19H,(H,20,21)/b13-8-
InChIKeyUUGZBBBVKRWYMW-JYRVWZFOSA-N
XLogP4.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one (CID 58923919) is (3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one is O=C1Nc2c(Br)cccc2/C1=C/c1c[nH]c2ccccc12.
What is the InChIKey of (3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one?
The InChIKey is UUGZBBBVKRWYMW-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H11BrN2O/c18-14-6-3-5-12-13(17(21)20-16(12)14)8-10-9-19-15-7-2-1-4-11(10)15/h1-9,19H,(H,20,21)/b13-8-.
What are the key properties of (3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one?
(3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one has a molecular weight of 339.19 g/mol, XLogP of 4.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 58923919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).