(3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one

C17H11NO2 — CID 148819024

IUPAC(3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C1\Cc2ccccc2C1=O
InChIInChI=1S/C17H11NO2/c19-16-11-6-2-1-5-10(11)9-13(16)15-12-7-3-4-8-14(12)18-17(15)20/h1-8H,9H2,(H,18,20)/b15-13-
InChIKeyORKJLUPUHHDLHC-SQFISAMPSA-N
MW261.28 g/mol
LogP2.83
Rot. Bonds

About (3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one

(3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one (PubChem CID 148819024) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is (3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one
PubChem CID148819024
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name(3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C1\Cc2ccccc2C1=O
InChIInChI=1S/C17H11NO2/c19-16-11-6-2-1-5-10(11)9-13(16)15-12-7-3-4-8-14(12)18-17(15)20/h1-8H,9H2,(H,18,20)/b15-13-
InChIKeyORKJLUPUHHDLHC-SQFISAMPSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.83
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-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one (CID 148819024) is (3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one is O=C1Nc2ccccc2/C1=C1\Cc2ccccc2C1=O.
What is the InChIKey of (3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one?
The InChIKey is ORKJLUPUHHDLHC-SQFISAMPSA-N. The full InChI is InChI=1S/C17H11NO2/c19-16-11-6-2-1-5-10(11)9-13(16)15-12-7-3-4-8-14(12)18-17(15)20/h1-8H,9H2,(H,18,20)/b15-13-.
What are the key properties of (3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one?
(3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one has a molecular weight of 261.28 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one is sourced from PubChem (CID 148819024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).