(3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one

C19H13NO2 — CID 58657963

IUPAC(3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one
SMILESO=C1CC(c2ccccc2)=C/C1=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C19H13NO2/c21-17-11-13(12-6-2-1-3-7-12)10-15(17)18-14-8-4-5-9-16(14)20-19(18)22/h1-10H,11H2,(H,20,22)/b18-15+
InChIKeyVPZFXGFOOQYWPH-OBGWFSINSA-N
MW287.32 g/mol
LogP3.45
Rot. Bonds1

About (3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one

(3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one (PubChem CID 58657963) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one
PubChem CID58657963
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name(3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one
SMILESO=C1CC(c2ccccc2)=C/C1=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C19H13NO2/c21-17-11-13(12-6-2-1-3-7-12)10-15(17)18-14-8-4-5-9-16(14)20-19(18)22/h1-10H,11H2,(H,20,22)/b18-15+
InChIKeyVPZFXGFOOQYWPH-OBGWFSINSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.45
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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Related Compounds

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copper;1H-indole-2,3-dione
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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one?
The IUPAC name of (3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one (CID 58657963) is (3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one is O=C1CC(c2ccccc2)=C/C1=C1\C(=O)Nc2ccccc21.
What is the InChIKey of (3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one?
The InChIKey is VPZFXGFOOQYWPH-OBGWFSINSA-N. The full InChI is InChI=1S/C19H13NO2/c21-17-11-13(12-6-2-1-3-7-12)10-15(17)18-14-8-4-5-9-16(14)20-19(18)22/h1-10H,11H2,(H,20,22)/b18-15+.
What are the key properties of (3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one?
(3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one has a molecular weight of 287.32 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one is sourced from PubChem (CID 58657963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).