(3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one

C23H13NO4 — CID 139228161

IUPAC(3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\C(=O)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C23H13NO4/c25-20(12-17-15-7-3-4-8-19(15)24-22(17)26)18-11-16-14-6-2-1-5-13(14)9-10-21(16)28-23(18)27/h1-12H,(H,24,26)/b17-12+
InChIKeyVOPVEMQNIBJLBK-SFQUDFHCSA-N
MW367.36 g/mol
LogP4.16
Rot. Bonds2

About (3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one

(3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one (PubChem CID 139228161) has the molecular formula C23H13NO4 and a molecular weight of 367.36 g/mol. Its IUPAC name is (3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one
PubChem CID139228161
Molecular FormulaC23H13NO4
Molecular Weight367.36 g/mol
Exact Mass367.08
IUPAC Name(3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\C(=O)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C23H13NO4/c25-20(12-17-15-7-3-4-8-19(15)24-22(17)26)18-11-16-14-6-2-1-5-13(14)9-10-21(16)28-23(18)27/h1-12H,(H,24,26)/b17-12+
InChIKeyVOPVEMQNIBJLBK-SFQUDFHCSA-N
XLogP4.16
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one (CID 139228161) is (3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\C(=O)c1cc2c(ccc3ccccc32)oc1=O.
What is the InChIKey of (3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one?
The InChIKey is VOPVEMQNIBJLBK-SFQUDFHCSA-N. The full InChI is InChI=1S/C23H13NO4/c25-20(12-17-15-7-3-4-8-19(15)24-22(17)26)18-11-16-14-6-2-1-5-13(14)9-10-21(16)28-23(18)27/h1-12H,(H,24,26)/b17-12+.
What are the key properties of (3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one?
(3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one has a molecular weight of 367.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethylidene]-1H-indol-2-one is sourced from PubChem (CID 139228161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).