(3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

C17H15BrN2O — CID 5329155

IUPAC(3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=C/c1cc2c([nH]1)CCCC2
InChIInChI=1S/C17H15BrN2O/c18-11-5-6-16-13(8-11)14(17(21)20-16)9-12-7-10-3-1-2-4-15(10)19-12/h5-9,19H,1-4H2,(H,20,21)/b14-9-
InChIKeyRFHPWPWVGFSLOP-ZROIWOOFSA-N
MW343.22 g/mol
LogP4.15
Rot. Bonds1

About (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

(3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 5329155) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
PubChem CID5329155
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name(3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=C/c1cc2c([nH]1)CCCC2
InChIInChI=1S/C17H15BrN2O/c18-11-5-6-16-13(8-11)14(17(21)20-16)9-12-7-10-3-1-2-4-15(10)19-12/h5-9,19H,1-4H2,(H,20,21)/b14-9-
InChIKeyRFHPWPWVGFSLOP-ZROIWOOFSA-N
XLogP4.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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3-[5-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (CID 5329155) is (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=C/c1cc2c([nH]1)CCCC2.
What is the InChIKey of (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is RFHPWPWVGFSLOP-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-11-5-6-16-13(8-11)14(17(21)20-16)9-12-7-10-3-1-2-4-15(10)19-12/h5-9,19H,1-4H2,(H,20,21)/b14-9-.
What are the key properties of (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 343.22 g/mol, XLogP of 4.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 5329155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).